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

Systemtic Name: 2-(2-azanyl-2-oxidanylidene-ethyl)-N-[(2-methoxyphenyl)methyl]-6,7-dimethyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxamide Openeye Name: 2-(2-amino-2-oxo-ethyl)-N-[(2-methoxyphenyl)methyl]-6,7-dimethyl-1-oxo-4-phenyl-isoquinoline-3-carboxamide CAS Name: 2-(2-amino-2-oxoethyl)-N-[(2-methoxyphenyl)methyl]-6,7-dimethyl-1-oxo-4-phenyl-3-isoquinolinecarboxamide IUPAC Name: 2-(2-amino-2-oxoethyl)-N-[(2-methoxyphenyl)methyl]-6,7-dimethyl-1-oxo-4-phenylisoquinoline-3-carboxamide Traditional Name: 2-(2-amino-2-keto-ethyl)-1-keto-6,7-dimethyl-N-o-anisyl-4-phenyl-isoquinoline-3-carboxamide Formula: C28H27N3O4 MolecularWeight: 469.53168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(N(C2=O)CC(=O)N)C(=O)NCC3=CC=CC=C3OC)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(N(C2=O)CC(=O)N)C(=O)NCC3=CC=CC=C3OC)C4=CC=CC=C4)C

InChI

InChI=1S/C28H27N3O4/c1-17-13-21-22(14-18(17)2)28(34)31(16-24(29)32)26(25(21)19-9-5-4-6-10-19)27(33)30-15-20-11-7-8-12-23(20)35-3/h4-14H,15-16H2,1-3H3,(H2,29,32)(H,30,33)