N-(3-chloranyl-4-methyl-phenyl)-5-oxidanylidene-5-(4-pyridin-2-ylpiperazin-1-yl)pentanamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-5-oxidanylidene-5-(4-pyridin-2-ylpiperazin-1-yl)pentanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-5-oxo-5-[4-(2-pyridyl)piperazin-1-yl]pentanamide CAS Name: N-(3-chloro-4-methylphenyl)-5-oxo-5-[4-(2-pyridinyl)-1-piperazinyl]pentanamide IUPAC Name: N-(3-chloro-4-methylphenyl)-5-oxo-5-(4-pyridin-2-ylpiperazin-1-yl)pentanamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-5-keto-5-[4-(2-pyridyl)piperazino]valeramide Formula: C21H25ClN4O2 MolecularWeight: 400.9018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCCC(=O)N2CCN(CC2)C3=CC=CC=N3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCCC(=O)N2CCN(CC2)C3=CC=CC=N3)Cl

InChI

InChI=1S/C21H25ClN4O2/c1-16-8-9-17(15-18(16)22)24-20(27)6-4-7-21(28)26-13-11-25(12-14-26)19-5-2-3-10-23-19/h2-3,5,8-10,15H,4,6-7,11-14H2,1H3,(H,24,27)