2-(2-azanyl-2-oxidanylidene-ethyl)-N-[(3,5-dimethylphenyl)methyl]-6,7-dimethyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxamide

Systemtic Name: 2-(2-azanyl-2-oxidanylidene-ethyl)-N-[(3,5-dimethylphenyl)methyl]-6,7-dimethyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxamide Openeye Name: 2-(2-amino-2-oxo-ethyl)-N-[(3,5-dimethylphenyl)methyl]-6,7-dimethyl-1-oxo-4-phenyl-isoquinoline-3-carboxamide CAS Name: 2-(2-amino-2-oxoethyl)-N-[(3,5-dimethylphenyl)methyl]-6,7-dimethyl-1-oxo-4-phenyl-3-isoquinolinecarboxamide IUPAC Name: 2-(2-amino-2-oxoethyl)-N-[(3,5-dimethylphenyl)methyl]-6,7-dimethyl-1-oxo-4-phenylisoquinoline-3-carboxamide Traditional Name: 2-(2-amino-2-keto-ethyl)-N-(3,5-dimethylbenzyl)-1-keto-6,7-dimethyl-4-phenyl-isoquinoline-3-carboxamide Formula: C29H29N3O3 MolecularWeight: 467.55886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CNC(=O)C2=C(C3=CC(=C(C=C3C(=O)N2CC(=O)N)C)C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)CNC(=O)C2=C(C3=CC(=C(C=C3C(=O)N2CC(=O)N)C)C)C4=CC=CC=C4)C

InChI

InChI=1S/C29H29N3O3/c1-17-10-18(2)12-21(11-17)15-31-28(34)27-26(22-8-6-5-7-9-22)23-13-19(3)20(4)14-24(23)29(35)32(27)16-25(30)33/h5-14H,15-16H2,1-4H3,(H2,30,33)(H,31,34)