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

Systemtic Name: (3S)-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[2-(4-methylanilino)-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[2-(4-methylanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[2-(4-methylanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[2-keto-2-(p-toluidino)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C19H21N3O2 MolecularWeight: 323.38894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O2/c1-13-6-8-16(9-7-13)21-18(23)12-22-11-15-5-3-2-4-14(15)10-17(22)19(20)24/h2-9,17H,10-12H2,1H3,(H2,20,24)(H,21,23)/t17-/m0/s1