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

Systemtic Name: 6,7-dimethoxy-N-[(2S)-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[(1S)-2-(isopentylamino)-1-methyl-2-oxo-ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: 6,7-dimethoxy-N-[(2S)-1-(3-methylbutylamino)-1-oxopropan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: 6,7-dimethoxy-N-[(2S)-1-(3-methylbutylamino)-1-oxopropan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[(1S)-2-(isoamylamino)-2-keto-1-methyl-ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C20H31N3O4 MolecularWeight: 377.47784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C(C)NC(=O)N1CCC2=CC(=C(C=C2C1)OC)OC

Isomeric SMILES

C[C@@H](C(=O)NCCC(C)C)NC(=O)N1CCC2=CC(=C(C=C2C1)OC)OC

InChI

InChI=1S/C20H31N3O4/c1-13(2)6-8-21-19(24)14(3)22-20(25)23-9-7-15-10-17(26-4)18(27-5)11-16(15)12-23/h10-11,13-14H,6-9,12H2,1-5H3,(H,21,24)(H,22,25)/t14-/m0/s1