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

Systemtic Name: N-[(2S)-1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[(1S)-2-(3-chloroanilino)-1-methyl-2-oxo-ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[(1S)-2-(3-chloroanilino)-2-keto-1-methyl-ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C21H24ClN3O4 MolecularWeight: 417.88596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O4/c1-13(20(26)24-17-6-4-5-16(22)11-17)23-21(27)25-8-7-14-9-18(28-2)19(29-3)10-15(14)12-25/h4-6,9-11,13H,7-8,12H2,1-3H3,(H,23,27)(H,24,26)/t13-/m0/s1