N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-2-(3-pyridylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-(3-pyridinylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[(1S)-2-amino-1-benzyl-2-keto-ethyl]-2-(3-pyridylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C25H26N4O2 MolecularWeight: 414.49954

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)CC3=CN=CC=C3)C(=O)NC(CC4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)CC3=CN=CC=C3)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C25H26N4O2/c26-24(30)22(13-18-7-2-1-3-8-18)28-25(31)23-14-20-10-4-5-11-21(20)17-29(23)16-19-9-6-12-27-15-19/h1-12,15,22-23H,13-14,16-17H2,(H2,26,30)(H,28,31)/t22-,23?/m0/s1