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

Systemtic Name: N-[(2S)-1-(furan-2-ylmethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-(2-furylmethylamino)-2-oxo-ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[(2S)-1-(2-furanylmethylamino)-1-oxo-3-phenylpropan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[(2S)-1-(furan-2-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-(2-furfurylamino)-2-keto-ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C26H29N3O5 MolecularWeight: 463.52556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)NC(CC3=CC=CC=C3)C(=O)NCC4=CC=CO4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NCC4=CC=CO4)OC

InChI

InChI=1S/C26H29N3O5/c1-32-23-14-19-10-11-29(17-20(19)15-24(23)33-2)26(31)28-22(13-18-7-4-3-5-8-18)25(30)27-16-21-9-6-12-34-21/h3-9,12,14-15,22H,10-11,13,16-17H2,1-2H3,(H,27,30)(H,28,31)/t22-/m0/s1