(3S)-2-[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[2-(2,5-dimethoxyanilino)-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[2-(2,5-dimethoxyanilino)-2-keto-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)CN2CC3=CC=CC=C3CC2C(=O)N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)CN2CC3=CC=CC=C3C[C@H]2C(=O)N

InChI

InChI=1S/C20H23N3O4/c1-26-15-7-8-18(27-2)16(10-15)22-19(24)12-23-11-14-6-4-3-5-13(14)9-17(23)20(21)25/h3-8,10,17H,9,11-12H2,1-2H3,(H2,21,25)(H,22,24)/t17-/m0/s1