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

Systemtic Name: (3S)-2-[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[2-(2-methoxy-5-methyl-anilino)-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[2-keto-2-(2-methoxy-5-methyl-anilino)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3/c1-13-7-8-18(26-2)16(9-13)22-19(24)12-23-11-15-6-4-3-5-14(15)10-17(23)20(21)25/h3-9,17H,10-12H2,1-2H3,(H2,21,25)(H,22,24)/t17-/m0/s1