2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-(3-chloranyl-2-methyl-phenyl)propanamide

Systemtic Name: 2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-(3-chloranyl-2-methyl-phenyl)propanamide Openeye Name: 2-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]-N-(3-chloro-2-methyl-phenyl)propanamide CAS Name: 2-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]-N-(3-chloro-2-methylphenyl)propanamide IUPAC Name: 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-chloro-2-methylphenyl)propanamide Traditional Name: 2-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]-N-(3-chloro-2-methyl-phenyl)propionamide Formula: C22H33ClN4O2 MolecularWeight: 420.97602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C(C)N2CCN(CC2)CC(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C(C)N2CCN(CC2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C22H33ClN4O2/c1-17-19(23)8-7-9-20(17)24-22(29)18(2)26-14-12-25(13-15-26)16-21(28)27-10-5-3-4-6-11-27/h7-9,18H,3-6,10-16H2,1-2H3,(H,24,29)