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

Systemtic Name: (3S)-2-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[2-(2,3-dimethylanilino)-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[2-(2,3-dimethylanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[2-(2,3-dimethylanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[2-(2,3-dimethylanilino)-2-keto-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H23N3O2 MolecularWeight: 337.41552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CN2CC3=CC=CC=C3CC2C(=O)N)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CN2CC3=CC=CC=C3C[C@H]2C(=O)N)C

InChI

InChI=1S/C20H23N3O2/c1-13-6-5-9-17(14(13)2)22-19(24)12-23-11-16-8-4-3-7-15(16)10-18(23)20(21)25/h3-9,18H,10-12H2,1-2H3,(H2,21,25)(H,22,24)/t18-/m0/s1