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

Systemtic Name: N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-1-[(4-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide Openeye Name: N-[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-1-[(4-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide CAS Name: N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-1-[[4-(1-imidazolyl)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-1-[(4-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide Traditional Name: N-[(1S)-2-amino-1-benzyl-2-keto-ethyl]-1-(4-imidazol-1-ylbenzyl)isonipecotamide Formula: C25H29N5O2 MolecularWeight: 431.53006

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC(CC2=CC=CC=C2)C(=O)N)CC3=CC=C(C=C3)N4C=CN=C4

Isomeric SMILES

C1CN(CCC1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N)CC3=CC=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C25H29N5O2/c26-24(31)23(16-19-4-2-1-3-5-19)28-25(32)21-10-13-29(14-11-21)17-20-6-8-22(9-7-20)30-15-12-27-18-30/h1-9,12,15,18,21,23H,10-11,13-14,16-17H2,(H2,26,31)(H,28,32)/t23-/m0/s1