[(3S)-1-(4-nitrophenyl)carbonylpiperidin-3-yl]-[4-(phenylmethyl)piperidin-1-yl]methanone

Systemtic Name: [(3S)-1-(4-nitrophenyl)carbonylpiperidin-3-yl]-[4-(phenylmethyl)piperidin-1-yl]methanone Openeye Name: (4-benzyl-1-piperidyl)-[(3S)-1-(4-nitrobenzoyl)-3-piperidyl]methanone CAS Name: [(3S)-1-[(4-nitrophenyl)-oxomethyl]-3-piperidinyl]-[4-(phenylmethyl)-1-piperidinyl]methanone IUPAC Name: (4-benzylpiperidin-1-yl)-[(3S)-1-(4-nitrobenzoyl)piperidin-3-yl]methanone Traditional Name: (4-benzylpiperidino)-[(3S)-1-(4-nitrobenzoyl)-3-piperidyl]methanone Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O4/c29-24(21-8-10-23(11-9-21)28(31)32)27-14-4-7-22(18-27)25(30)26-15-12-20(13-16-26)17-19-5-2-1-3-6-19/h1-3,5-6,8-11,20,22H,4,7,12-18H2/t22-/m0/s1