N-cyclopropyl-3-[2-[[4-(2-dimethylaminoethylcarbamoyl)phenyl]methyl]-1-oxidanylidene-isoquinolin-6-yl]-4-methyl-benzamide

Systemtic Name: N-cyclopropyl-3-[2-[[4-(2-dimethylaminoethylcarbamoyl)phenyl]methyl]-1-oxidanylidene-isoquinolin-6-yl]-4-methyl-benzamide Openeye Name: N-cyclopropyl-3-[2-[[4-(2-dimethylaminoethylcarbamoyl)phenyl]methyl]-1-oxo-6-isoquinolyl]-4-methyl-benzamide CAS Name: N-cyclopropyl-3-[2-[[4-[(2-dimethylaminoethylamino)-oxomethyl]phenyl]methyl]-1-oxo-6-isoquinolinyl]-4-methylbenzamide IUPAC Name: N-cyclopropyl-3-[2-[[4-(2-dimethylaminoethylcarbamoyl)phenyl]methyl]-1-oxoisoquinolin-6-yl]-4-methylbenzamide Traditional Name: N-cyclopropyl-3-[2-[4-(2-dimethylaminoethylcarbamoyl)benzyl]-1-keto-6-isoquinolyl]-4-methyl-benzamide Formula: C32H34N4O3 MolecularWeight: 522.63736

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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=C4)CC5=CC=C(C=C5)C(=O)NCCN(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=CC4=C(C=C3)C(=O)N(C=C4)CC5=CC=C(C=C5)C(=O)NCCN(C)C

InChI

InChI=1S/C32H34N4O3/c1-21-4-7-26(31(38)34-27-11-12-27)19-29(21)24-10-13-28-25(18-24)14-16-36(32(28)39)20-22-5-8-23(9-6-22)30(37)33-15-17-35(2)3/h4-10,13-14,16,18-19,27H,11-12,15,17,20H2,1-3H3,(H,33,37)(H,34,38)