4-(2,3-dimethylphenyl)-N-(2-methyl-1-oxidanylidene-isoquinolin-4-yl)piperazine-1-carboxamide

Systemtic Name: 4-(2,3-dimethylphenyl)-N-(2-methyl-1-oxidanylidene-isoquinolin-4-yl)piperazine-1-carboxamide Openeye Name: 4-(2,3-dimethylphenyl)-N-(2-methyl-1-oxo-4-isoquinolyl)piperazine-1-carboxamide CAS Name: 4-(2,3-dimethylphenyl)-N-(2-methyl-1-oxo-4-isoquinolinyl)-1-piperazinecarboxamide IUPAC Name: 4-(2,3-dimethylphenyl)-N-(2-methyl-1-oxoisoquinolin-4-yl)piperazine-1-carboxamide Traditional Name: 4-(2,3-dimethylphenyl)-N-(1-keto-2-methyl-4-isoquinolyl)piperazine-1-carboxamide Formula: C23H26N4O2 MolecularWeight: 390.47814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)NC3=CN(C(=O)C4=CC=CC=C43)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)NC3=CN(C(=O)C4=CC=CC=C43)C)C

InChI

InChI=1S/C23H26N4O2/c1-16-7-6-10-21(17(16)2)26-11-13-27(14-12-26)23(29)24-20-15-25(3)22(28)19-9-5-4-8-18(19)20/h4-10,15H,11-14H2,1-3H3,(H,24,29)