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

Systemtic Name: N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-2-[(4-imidazol-1-ylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-2-[(4-imidazol-1-ylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-[[4-(1-imidazolyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-[(4-imidazol-1-ylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[(1S)-2-amino-1-benzyl-2-keto-ethyl]-2-(4-imidazol-1-ylbenzyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C29H29N5O2 MolecularWeight: 479.57286

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)CC3=CC=C(C=C3)N4C=CN=C4)C(=O)NC(CC5=CC=CC=C5)C(=O)N

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)CC3=CC=C(C=C3)N4C=CN=C4)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N

InChI

InChI=1S/C29H29N5O2/c30-28(35)26(16-21-6-2-1-3-7-21)32-29(36)27-17-23-8-4-5-9-24(23)19-34(27)18-22-10-12-25(13-11-22)33-15-14-31-20-33/h1-15,20,26-27H,16-19H2,(H2,30,35)(H,32,36)/t26-,27?/m0/s1