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

Systemtic Name: 4-(4-methoxyphenyl)-N-[2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-4-yl]piperazine-1-carboxamide Openeye Name: N-(2-isobutyl-1-oxo-4-isoquinolyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide CAS Name: 4-(4-methoxyphenyl)-N-[2-(2-methylpropyl)-1-oxo-4-isoquinolinyl]-1-piperazinecarboxamide IUPAC Name: 4-(4-methoxyphenyl)-N-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]piperazine-1-carboxamide Traditional Name: N-(2-isobutyl-1-keto-4-isoquinolyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide Formula: C25H30N4O3 MolecularWeight: 434.5307

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O3/c1-18(2)16-29-17-23(21-6-4-5-7-22(21)24(29)30)26-25(31)28-14-12-27(13-15-28)19-8-10-20(32-3)11-9-19/h4-11,17-18H,12-16H2,1-3H3,(H,26,31)