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

Systemtic Name: 5-(2,4-dimethoxyphenyl)-2-(4-nitrophenyl)-N-[1-(phenylmethyl)piperidin-4-yl]pyrazole-3-carboxamide Openeye Name: N-(1-benzyl-4-piperidyl)-5-(2,4-dimethoxyphenyl)-2-(4-nitrophenyl)pyrazole-3-carboxamide CAS Name: 5-(2,4-dimethoxyphenyl)-2-(4-nitrophenyl)-N-[1-(phenylmethyl)-4-piperidinyl]-3-pyrazolecarboxamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-5-(2,4-dimethoxyphenyl)-2-(4-nitrophenyl)pyrazole-3-carboxamide Traditional Name: N-(1-benzyl-4-piperidyl)-5-(2,4-dimethoxyphenyl)-2-(4-nitrophenyl)pyrazole-3-carboxamide Formula: C30H31N5O5 MolecularWeight: 541.59764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN(C(=C2)C(=O)NC3CCN(CC3)CC4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN(C(=C2)C(=O)NC3CCN(CC3)CC4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-])OC

InChI

InChI=1S/C30H31N5O5/c1-39-25-12-13-26(29(18-25)40-2)27-19-28(34(32-27)23-8-10-24(11-9-23)35(37)38)30(36)31-22-14-16-33(17-15-22)20-21-6-4-3-5-7-21/h3-13,18-19,22H,14-17,20H2,1-2H3,(H,31,36)