4-(2-ethylphenyl)-N-[(4-methoxyphenyl)methyl]-2-methyl-1-oxidanylidene-isoquinoline-3-carboxamide

Systemtic Name: 4-(2-ethylphenyl)-N-[(4-methoxyphenyl)methyl]-2-methyl-1-oxidanylidene-isoquinoline-3-carboxamide Openeye Name: 4-(2-ethylphenyl)-N-[(4-methoxyphenyl)methyl]-2-methyl-1-oxo-isoquinoline-3-carboxamide CAS Name: 4-(2-ethylphenyl)-N-[(4-methoxyphenyl)methyl]-2-methyl-1-oxo-3-isoquinolinecarboxamide IUPAC Name: 4-(2-ethylphenyl)-N-[(4-methoxyphenyl)methyl]-2-methyl-1-oxoisoquinoline-3-carboxamide Traditional Name: 4-(2-ethylphenyl)-1-keto-2-methyl-N-p-anisyl-isoquinoline-3-carboxamide Formula: C27H26N2O3 MolecularWeight: 426.50694

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C2=C(N(C(=O)C3=CC=CC=C32)C)C(=O)NCC4=CC=C(C=C4)OC

Isomeric SMILES

CCC1=CC=CC=C1C2=C(N(C(=O)C3=CC=CC=C32)C)C(=O)NCC4=CC=C(C=C4)OC

InChI

InChI=1S/C27H26N2O3/c1-4-19-9-5-6-10-21(19)24-22-11-7-8-12-23(22)27(31)29(2)25(24)26(30)28-17-18-13-15-20(32-3)16-14-18/h5-16H,4,17H2,1-3H3,(H,28,30)