2-(3-methylphenyl)-5-(4-nitrophenyl)-N-[1-(phenylmethyl)piperidin-4-yl]pyrazole-3-carboxamide

Systemtic Name: 2-(3-methylphenyl)-5-(4-nitrophenyl)-N-[1-(phenylmethyl)piperidin-4-yl]pyrazole-3-carboxamide Openeye Name: N-(1-benzyl-4-piperidyl)-2-(m-tolyl)-5-(4-nitrophenyl)pyrazole-3-carboxamide CAS Name: 2-(3-methylphenyl)-5-(4-nitrophenyl)-N-[1-(phenylmethyl)-4-piperidinyl]-3-pyrazolecarboxamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)-5-(4-nitrophenyl)pyrazole-3-carboxamide Traditional Name: N-(1-benzyl-4-piperidyl)-2-(m-tolyl)-5-(4-nitrophenyl)pyrazole-3-carboxamide Formula: C29H29N5O3 MolecularWeight: 495.57226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H29N5O3/c1-21-6-5-9-26(18-21)33-28(19-27(31-33)23-10-12-25(13-11-23)34(36)37)29(35)30-24-14-16-32(17-15-24)20-22-7-3-2-4-8-22/h2-13,18-19,24H,14-17,20H2,1H3,(H,30,35)