N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-(2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-1-(2-nitrophenyl)isonipecotamide Formula: C27H27N5O3 MolecularWeight: 469.53498

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC(CC2=CC=CC=C2)C3=NC4=CC=CC=C4N3)C5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)N[C@@H](CC2=CC=CC=C2)C3=NC4=CC=CC=C4N3)C5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C27H27N5O3/c33-27(20-14-16-31(17-15-20)24-12-6-7-13-25(24)32(34)35)30-23(18-19-8-2-1-3-9-19)26-28-21-10-4-5-11-22(21)29-26/h1-13,20,23H,14-18H2,(H,28,29)(H,30,33)/t23-/m0/s1