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

Systemtic Name: N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-1-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]piperidine-4-carboxamide Openeye Name: N-[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-1-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]piperidine-4-carboxamide CAS Name: N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-1-[[3-[(4-cyanophenyl)methyl]-4-imidazolyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-1-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]piperidine-4-carboxamide Traditional Name: N-[(1S)-2-amino-1-benzyl-2-keto-ethyl]-1-[[3-(4-cyanobenzyl)imidazol-4-yl]methyl]isonipecotamide Formula: C27H30N6O2 MolecularWeight: 470.5661

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC(CC2=CC=CC=C2)C(=O)N)CC3=CN=CN3CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCC1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N)CC3=CN=CN3CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H30N6O2/c28-15-21-6-8-22(9-7-21)17-33-19-30-16-24(33)18-32-12-10-23(11-13-32)27(35)31-25(26(29)34)14-20-4-2-1-3-5-20/h1-9,16,19,23,25H,10-14,17-18H2,(H2,29,34)(H,31,35)/t25-/m0/s1