4-(4-ethanoylphenyl)-N-[2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-4-yl]piperazine-1-carboxamide

Systemtic Name: 4-(4-ethanoylphenyl)-N-[2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-4-yl]piperazine-1-carboxamide Openeye Name: 4-(4-acetylphenyl)-N-(2-isobutyl-1-oxo-4-isoquinolyl)piperazine-1-carboxamide CAS Name: 4-(4-acetylphenyl)-N-[2-(2-methylpropyl)-1-oxo-4-isoquinolinyl]-1-piperazinecarboxamide IUPAC Name: 4-(4-acetylphenyl)-N-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]piperazine-1-carboxamide Traditional Name: 4-(4-acetylphenyl)-N-(2-isobutyl-1-keto-4-isoquinolyl)piperazine-1-carboxamide Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C2=CC=CC=C2C1=O)NC(=O)N3CCN(CC3)C4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CC(C)CN1C=C(C2=CC=CC=C2C1=O)NC(=O)N3CCN(CC3)C4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C26H30N4O3/c1-18(2)16-30-17-24(22-6-4-5-7-23(22)25(30)32)27-26(33)29-14-12-28(13-15-29)21-10-8-20(9-11-21)19(3)31/h4-11,17-18H,12-16H2,1-3H3,(H,27,33)