4-phenyl-N-(2,6,7-trimethyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)piperazine-1-carboxamide

Systemtic Name: 4-phenyl-N-(2,6,7-trimethyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)piperazine-1-carboxamide Openeye Name: 4-phenyl-N-(2,6,7-trimethyl-1-oxo-4-phenyl-3-isoquinolyl)piperazine-1-carboxamide CAS Name: 4-phenyl-N-(2,6,7-trimethyl-1-oxo-4-phenyl-3-isoquinolinyl)-1-piperazinecarboxamide IUPAC Name: 4-phenyl-N-(2,6,7-trimethyl-1-oxo-4-phenylisoquinolin-3-yl)piperazine-1-carboxamide Traditional Name: N-(1-keto-2,6,7-trimethyl-4-phenyl-3-isoquinolyl)-4-phenyl-piperazine-1-carboxamide Formula: C29H30N4O2 MolecularWeight: 466.5741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(N(C2=O)C)NC(=O)N3CCN(CC3)C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(N(C2=O)C)NC(=O)N3CCN(CC3)C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C29H30N4O2/c1-20-18-24-25(19-21(20)2)28(34)31(3)27(26(24)22-10-6-4-7-11-22)30-29(35)33-16-14-32(15-17-33)23-12-8-5-9-13-23/h4-13,18-19H,14-17H2,1-3H3,(H,30,35)