N-[4-(azepan-1-yl)phenyl]-2-[4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-[4-[2-(2,6-dimethylanilino)-2-oxo-ethyl]piperazin-1-yl]acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-piperazinyl]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-[4-[2-(2,6-dimethylanilino)-2-keto-ethyl]piperazino]acetamide Formula: C28H39N5O2 MolecularWeight: 477.64156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC=C(C=C3)N4CCCCCC4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C28H39N5O2/c1-22-8-7-9-23(2)28(22)30-27(35)21-32-18-16-31(17-19-32)20-26(34)29-24-10-12-25(13-11-24)33-14-5-3-4-6-15-33/h7-13H,3-6,14-21H2,1-2H3,(H,29,34)(H,30,35)