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

Systemtic Name: 4-(phenylmethyl)-N-(2,6,7-trimethyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)piperazine-1-carboxamide Openeye Name: 4-benzyl-N-(2,6,7-trimethyl-1-oxo-4-phenyl-3-isoquinolyl)piperazine-1-carboxamide CAS Name: 4-(phenylmethyl)-N-(2,6,7-trimethyl-1-oxo-4-phenyl-3-isoquinolinyl)-1-piperazinecarboxamide IUPAC Name: 4-benzyl-N-(2,6,7-trimethyl-1-oxo-4-phenylisoquinolin-3-yl)piperazine-1-carboxamide Traditional Name: 4-benzyl-N-(1-keto-2,6,7-trimethyl-4-phenyl-3-isoquinolyl)piperazine-1-carboxamide Formula: C30H32N4O2 MolecularWeight: 480.60068

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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)CC4=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)CC4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C30H32N4O2/c1-21-18-25-26(19-22(21)2)29(35)32(3)28(27(25)24-12-8-5-9-13-24)31-30(36)34-16-14-33(15-17-34)20-23-10-6-4-7-11-23/h4-13,18-19H,14-17,20H2,1-3H3,(H,31,36)