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

Systemtic Name: N-cyclopropyl-3-[2-[[4-[2-dimethylaminoethyl(methyl)carbamoyl]phenyl]methyl]-1-oxidanylidene-isoquinolin-6-yl]-4-methyl-benzamide Openeye Name: N-cyclopropyl-3-[2-[[4-[2-dimethylaminoethyl(methyl)carbamoyl]phenyl]methyl]-1-oxo-6-isoquinolyl]-4-methyl-benzamide CAS Name: N-cyclopropyl-3-[2-[[4-[[2-dimethylaminoethyl(methyl)amino]-oxomethyl]phenyl]methyl]-1-oxo-6-isoquinolinyl]-4-methylbenzamide IUPAC Name: N-cyclopropyl-3-[2-[[4-[2-dimethylaminoethyl(methyl)carbamoyl]phenyl]methyl]-1-oxoisoquinolin-6-yl]-4-methylbenzamide Traditional Name: N-cyclopropyl-3-[2-[4-[2-dimethylaminoethyl(methyl)carbamoyl]benzyl]-1-keto-6-isoquinolyl]-4-methyl-benzamide Formula: C33H36N4O3 MolecularWeight: 536.66394

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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)N(C)CCN(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)N(C)CCN(C)C

InChI

InChI=1S/C33H36N4O3/c1-22-5-8-27(31(38)34-28-12-13-28)20-30(22)25-11-14-29-26(19-25)15-16-37(33(29)40)21-23-6-9-24(10-7-23)32(39)36(4)18-17-35(2)3/h5-11,14-16,19-20,28H,12-13,17-18,21H2,1-4H3,(H,34,38)