2-(3-methoxyphenyl)-1-oxidanylidene-N-[3-oxidanylidene-3-[(4-phenoxyphenyl)amino]propyl]isoquinoline-4-carboxamide

Systemtic Name: 2-(3-methoxyphenyl)-1-oxidanylidene-N-[3-oxidanylidene-3-[(4-phenoxyphenyl)amino]propyl]isoquinoline-4-carboxamide Openeye Name: 2-(3-methoxyphenyl)-1-oxo-N-[3-oxo-3-(4-phenoxyanilino)propyl]isoquinoline-4-carboxamide CAS Name: 2-(3-methoxyphenyl)-1-oxo-N-[3-oxo-3-(4-phenoxyanilino)propyl]-4-isoquinolinecarboxamide IUPAC Name: 2-(3-methoxyphenyl)-1-oxo-N-[3-oxo-3-(4-phenoxyanilino)propyl]isoquinoline-4-carboxamide Traditional Name: 1-keto-N-[3-keto-3-(4-phenoxyanilino)propyl]-2-(3-methoxyphenyl)isoquinoline-4-carboxamide Formula: C32H27N3O5 MolecularWeight: 533.57388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NCCC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NCCC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C32H27N3O5/c1-39-26-11-7-8-23(20-26)35-21-29(27-12-5-6-13-28(27)32(35)38)31(37)33-19-18-30(36)34-22-14-16-25(17-15-22)40-24-9-3-2-4-10-24/h2-17,20-21H,18-19H2,1H3,(H,33,37)(H,34,36)