3-(4-nitrophenyl)-1-[2-[1-(phenylmethyl)piperidin-4-yl]ethyl]pyrazole-4-carboxamide

Systemtic Name: 3-(4-nitrophenyl)-1-[2-[1-(phenylmethyl)piperidin-4-yl]ethyl]pyrazole-4-carboxamide Openeye Name: 1-[2-(1-benzyl-4-piperidyl)ethyl]-3-(4-nitrophenyl)pyrazole-4-carboxamide CAS Name: 3-(4-nitrophenyl)-1-[2-[1-(phenylmethyl)-4-piperidinyl]ethyl]-4-pyrazolecarboxamide IUPAC Name: 1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(4-nitrophenyl)pyrazole-4-carboxamide Traditional Name: 1-[2-(1-benzyl-4-piperidyl)ethyl]-3-(4-nitrophenyl)pyrazole-4-carboxamide Formula: C24H27N5O3 MolecularWeight: 433.50288

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCN2C=C(C(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)N)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1CCN2C=C(C(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)N)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N5O3/c25-24(30)22-17-28(26-23(22)20-6-8-21(9-7-20)29(31)32)15-12-18-10-13-27(14-11-18)16-19-4-2-1-3-5-19/h1-9,17-18H,10-16H2,(H2,25,30)