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

Systemtic Name: 6,7-dimethoxy-N-[(2S)-1-[(3-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: 6,7-dimethoxy-N-[(1S)-2-(3-methoxyanilino)-1-methyl-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: 6,7-dimethoxy-N-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: 6,7-dimethoxy-N-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[(1S)-2-keto-2-(m-anisidino)-1-methyl-ethyl]-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:

CC(C(=O)NC1=CC(=CC=C1)OC)NC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)OC)NC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C22H27N3O5/c1-14(21(26)24-17-6-5-7-18(12-17)28-2)23-22(27)25-9-8-15-10-19(29-3)20(30-4)11-16(15)13-25/h5-7,10-12,14H,8-9,13H2,1-4H3,(H,23,27)(H,24,26)/t14-/m0/s1