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

Systemtic Name: N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-2-(quinolin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-2-(3-quinolylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-(3-quinolinylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-(quinolin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[(1S)-2-amino-1-benzyl-2-keto-ethyl]-2-(3-quinolylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C29H28N4O2 MolecularWeight: 464.55822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)CC3=CC4=CC=CC=C4N=C3)C(=O)NC(CC5=CC=CC=C5)C(=O)N

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)CC3=CC4=CC=CC=C4N=C3)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N

InChI

InChI=1S/C29H28N4O2/c30-28(34)26(15-20-8-2-1-3-9-20)32-29(35)27-16-22-10-4-5-12-24(22)19-33(27)18-21-14-23-11-6-7-13-25(23)31-17-21/h1-14,17,26-27H,15-16,18-19H2,(H2,30,34)(H,32,35)/t26-,27?/m0/s1