2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)ethanamide

Systemtic Name: 2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)ethanamide Openeye Name: 2-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]-N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)acetamide CAS Name: 2-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]-N-(3-cyano-4,5-dimethyl-1-phenyl-2-pyrrolyl)acetamide IUPAC Name: 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)acetamide Traditional Name: 2-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]-N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)acetamide Formula: C27H36N6O2 MolecularWeight: 476.61374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CN2CCN(CC2)CC(=O)N3CCCCCC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CN2CCN(CC2)CC(=O)N3CCCCCC3)C4=CC=CC=C4)C

InChI

InChI=1S/C27H36N6O2/c1-21-22(2)33(23-10-6-5-7-11-23)27(24(21)18-28)29-25(34)19-30-14-16-31(17-15-30)20-26(35)32-12-8-3-4-9-13-32/h5-7,10-11H,3-4,8-9,12-17,19-20H2,1-2H3,(H,29,34)