6,7-dimethoxy-N-[3-oxidanylidene-3-[(4-phenoxyphenyl)amino]propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: 6,7-dimethoxy-N-[3-oxidanylidene-3-[(4-phenoxyphenyl)amino]propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: 6,7-dimethoxy-N-[3-oxo-3-(4-phenoxyanilino)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: 6,7-dimethoxy-N-[3-oxo-3-(4-phenoxyanilino)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: 6,7-dimethoxy-N-[3-oxo-3-(4-phenoxyanilino)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[3-keto-3-(4-phenoxyanilino)propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C27H29N3O5 MolecularWeight: 475.53626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)NCCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)NCCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)OC

InChI

InChI=1S/C27H29N3O5/c1-33-24-16-19-13-15-30(18-20(19)17-25(24)34-2)27(32)28-14-12-26(31)29-21-8-10-23(11-9-21)35-22-6-4-3-5-7-22/h3-11,16-17H,12-15,18H2,1-2H3,(H,28,32)(H,29,31)