2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-(2,5-dimethylphenyl)propanamide

Systemtic Name: 2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-(2,5-dimethylphenyl)propanamide Openeye Name: 2-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]-N-(2,5-dimethylphenyl)propanamide CAS Name: 2-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]-N-(2,5-dimethylphenyl)propanamide IUPAC Name: 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2,5-dimethylphenyl)propanamide Traditional Name: 2-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]-N-(2,5-dimethylphenyl)propionamide Formula: C23H36N4O2 MolecularWeight: 400.55754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C)N2CCN(CC2)CC(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C(C)N2CCN(CC2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C23H36N4O2/c1-18-8-9-19(2)21(16-18)24-23(29)20(3)26-14-12-25(13-15-26)17-22(28)27-10-6-4-5-7-11-27/h8-9,16,20H,4-7,10-15,17H2,1-3H3,(H,24,29)