N-[(1S)-1-(4-bromophenyl)propyl]-1-(2-nitrophenyl)piperidine-4-carboxamide

Systemtic Name: N-[(1S)-1-(4-bromophenyl)propyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Openeye Name: N-[(1S)-1-(4-bromophenyl)propyl]-1-(2-nitrophenyl)piperidine-4-carboxamide CAS Name: N-[(1S)-1-(4-bromophenyl)propyl]-1-(2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-[(1S)-1-(4-bromophenyl)propyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-[(1S)-1-(4-bromophenyl)propyl]-1-(2-nitrophenyl)isonipecotamide Formula: C21H24BrN3O3 MolecularWeight: 446.33756

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)Br)NC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC[C@@H](C1=CC=C(C=C1)Br)NC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H24BrN3O3/c1-2-18(15-7-9-17(22)10-8-15)23-21(26)16-11-13-24(14-12-16)19-5-3-4-6-20(19)25(27)28/h3-10,16,18H,2,11-14H2,1H3,(H,23,26)/t18-/m0/s1