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

Systemtic Name: N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-[(4-fluorobenzyl)amino]-2-keto-ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C28H30FN3O4 MolecularWeight: 491.553903

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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=C(C=C4)F)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)F)OC

InChI

InChI=1S/C28H30FN3O4/c1-35-25-15-21-12-13-32(18-22(21)16-26(25)36-2)28(34)31-24(14-19-6-4-3-5-7-19)27(33)30-17-20-8-10-23(29)11-9-20/h3-11,15-16,24H,12-14,17-18H2,1-2H3,(H,30,33)(H,31,34)/t24-/m0/s1