N-cyclopropyl-3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]carbonyl-1-oxidanylidene-2-(phenylmethyl)isoquinolin-6-yl]-4-methyl-benzamide

Systemtic Name: N-cyclopropyl-3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]carbonyl-1-oxidanylidene-2-(phenylmethyl)isoquinolin-6-yl]-4-methyl-benzamide Openeye Name: 3-[2-benzyl-4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1-oxo-6-isoquinolyl]-N-cyclopropyl-4-methyl-benzamide CAS Name: N-cyclopropyl-3-[4-[[4-(2-hydroxyethyl)-1-piperazinyl]-oxomethyl]-1-oxo-2-(phenylmethyl)-6-isoquinolinyl]-4-methylbenzamide IUPAC Name: 3-[2-benzyl-4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1-oxoisoquinolin-6-yl]-N-cyclopropyl-4-methylbenzamide Traditional Name: 3-[2-benzyl-4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1-keto-6-isoquinolyl]-N-cyclopropyl-4-methyl-benzamide Formula: C34H36N4O4 MolecularWeight: 564.67404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=CC4=C(C=C3)C(=O)N(C=C4C(=O)N5CCN(CC5)CCO)CC6=CC=CC=C6

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=CC4=C(C=C3)C(=O)N(C=C4C(=O)N5CCN(CC5)CCO)CC6=CC=CC=C6

InChI

InChI=1S/C34H36N4O4/c1-23-7-8-26(32(40)35-27-10-11-27)20-29(23)25-9-12-28-30(19-25)31(34(42)37-15-13-36(14-16-37)17-18-39)22-38(33(28)41)21-24-5-3-2-4-6-24/h2-9,12,19-20,22,27,39H,10-11,13-18,21H2,1H3,(H,35,40)