N-cyclopropyl-3-[2-(cyclopropylmethyl)-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-oxidanylidene-isoquinolin-6-yl]-4-methyl-benzamide

Systemtic Name: N-cyclopropyl-3-[2-(cyclopropylmethyl)-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-oxidanylidene-isoquinolin-6-yl]-4-methyl-benzamide Openeye Name: N-cyclopropyl-3-[2-(cyclopropylmethyl)-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-oxo-6-isoquinolyl]-4-methyl-benzamide CAS Name: N-cyclopropyl-3-[2-(cyclopropylmethyl)-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-oxo-6-isoquinolinyl]-4-methylbenzamide IUPAC Name: N-cyclopropyl-3-[2-(cyclopropylmethyl)-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-oxoisoquinolin-6-yl]-4-methylbenzamide Traditional Name: N-cyclopropyl-3-[2-(cyclopropylmethyl)-1-keto-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-isoquinolyl]-4-methyl-benzamide Formula: C31H38N4O2 MolecularWeight: 498.65902

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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=C4CN5CCCN(CC5)C)CC6CC6

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=CC4=C(C=C3)C(=O)N(C=C4CN5CCCN(CC5)C)CC6CC6

InChI

InChI=1S/C31H38N4O2/c1-21-4-7-24(30(36)32-26-9-10-26)17-28(21)23-8-11-27-29(16-23)25(19-34-13-3-12-33(2)14-15-34)20-35(31(27)37)18-22-5-6-22/h4,7-8,11,16-17,20,22,26H,3,5-6,9-10,12-15,18-19H2,1-2H3,(H,32,36)