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

Systemtic Name: N-[(2S)-1-(cyclopropylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-(cyclopropylamino)-2-oxo-ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-(cyclopropylamino)-2-keto-ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C24H29N3O4 MolecularWeight: 423.50476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)NC(CC3=CC=CC=C3)C(=O)NC4CC4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NC4CC4)OC

InChI

InChI=1S/C24H29N3O4/c1-30-21-13-17-10-11-27(15-18(17)14-22(21)31-2)24(29)26-20(23(28)25-19-8-9-19)12-16-6-4-3-5-7-16/h3-7,13-14,19-20H,8-12,15H2,1-2H3,(H,25,28)(H,26,29)/t20-/m0/s1