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

Systemtic Name: (3S)-2-[2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[2-[2-(o-tolyl)ethylamino]-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[2-keto-2-[2-(o-tolyl)ethylamino]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNC(=O)CN2CC3=CC=CC=C3CC2C(=O)N

Isomeric SMILES

CC1=CC=CC=C1CCNC(=O)CN2CC3=CC=CC=C3C[C@H]2C(=O)N

InChI

InChI=1S/C21H25N3O2/c1-15-6-2-3-7-16(15)10-11-23-20(25)14-24-13-18-9-5-4-8-17(18)12-19(24)21(22)26/h2-9,19H,10-14H2,1H3,(H2,22,26)(H,23,25)/t19-/m0/s1