6,7-dimethoxy-N-[(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: 6,7-dimethoxy-N-[(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[(1S)-2-anilino-1-methyl-2-oxo-ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[(2S)-1-anilino-1-oxopropan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[(2S)-1-anilino-1-oxopropan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[(1S)-2-anilino-2-keto-1-methyl-ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)NC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1)NC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C21H25N3O4/c1-14(20(25)23-17-7-5-4-6-8-17)22-21(26)24-10-9-15-11-18(27-2)19(28-3)12-16(15)13-24/h4-8,11-12,14H,9-10,13H2,1-3H3,(H,22,26)(H,23,25)/t14-/m0/s1