2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-(methylcarbamoyl)-2-phenyl-ethanamide

Systemtic Name: 2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-(methylcarbamoyl)-2-phenyl-ethanamide Openeye Name: 2-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]-N-(methylcarbamoyl)-2-phenyl-acetamide CAS Name: 2-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]-N-(methylcarbamoyl)-2-phenylacetamide IUPAC Name: 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide Traditional Name: 2-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]-N-(methylcarbamoyl)-2-phenyl-acetamide Formula: C22H33N5O3 MolecularWeight: 415.52912

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)C(C1=CC=CC=C1)N2CCN(CC2)CC(=O)N3CCCCCC3

Isomeric SMILES

CNC(=O)NC(=O)C(C1=CC=CC=C1)N2CCN(CC2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C22H33N5O3/c1-23-22(30)24-21(29)20(18-9-5-4-6-10-18)27-15-13-25(14-16-27)17-19(28)26-11-7-2-3-8-12-26/h4-6,9-10,20H,2-3,7-8,11-17H2,1H3,(H2,23,24,29,30)