N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide

Systemtic Name: N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Openeye Name: N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide CAS Name: N-[(1S)-1-[4-(1-imidazolyl)phenyl]ethyl]-1-(2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-1-(2-nitrophenyl)isonipecotamide Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O3/c1-17(18-6-8-20(9-7-18)27-15-12-24-16-27)25-23(29)19-10-13-26(14-11-19)21-4-2-3-5-22(21)28(30)31/h2-9,12,15-17,19H,10-11,13-14H2,1H3,(H,25,29)/t17-/m0/s1