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

Systemtic Name: 6,7-dimethoxy-N-[3-[(3-methoxyphenyl)amino]-3-oxidanylidene-propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: 6,7-dimethoxy-N-[3-(3-methoxyanilino)-3-oxo-propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: 6,7-dimethoxy-N-[3-(3-methoxyanilino)-3-oxopropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: 6,7-dimethoxy-N-[3-(3-methoxyanilino)-3-oxopropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[3-keto-3-(m-anisidino)propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CCNC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CCNC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C22H27N3O5/c1-28-18-6-4-5-17(13-18)24-21(26)7-9-23-22(27)25-10-8-15-11-19(29-2)20(30-3)12-16(15)14-25/h4-6,11-13H,7-10,14H2,1-3H3,(H,23,27)(H,24,26)