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Reference substances

Reference substances

IUPAC name:
2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

Inventory

EC number:
243-317-1
EC name:
Trazodone
CAS number:
19794-93-5
CAS number:
19794-93-5
Synonyms
Names:
s-Triazolo(4,3-a)pyridin-3(2H)-one,_2-(3-(4-(m-chlorophenyl)-1-piperazinyl)propy
Identifier:
IUPAC name
2-{3-[4-(3-Chlorophenyl)piperazin-1-yl]propyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Identifier:
other: SMILES notation
Clc1cccc(c1)N2CCN(CC2)CCCN3N=C4C=CC=CN4C3=O
Identifier:
other: InChl
InChI=1S/C19H22ClN5O/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25/h1-3,5-7,9,15H,4,8,10-14H2
2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

Molecular and structural information

Molecular formula:
C19H22ClN5O
Molecular weight:
371.864
SMILES notation:
Clc1cccc(c1)N2CCN(CCCN3N=C4C=CC=CN4C3=O)CC2
InChl:
InChI=1/C19H22ClN5O/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25/h1-3,5-7,9,15H,4,8,10-14H2
Structural formula:
Chemical structure

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