3-[1-[5-(3-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-yl]carbonylpiperidin-4-yl]-1H-benzimidazol-2-one

Systemtic Name: 3-[1-[5-(3-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-yl]carbonylpiperidin-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-[5-(3-methoxyphenyl)-2-(4-nitrophenyl)pyrazole-3-carbonyl]-4-piperidyl]-1H-benzimidazol-2-one CAS Name: 3-[1-[[5-(3-methoxyphenyl)-2-(4-nitrophenyl)-3-pyrazolyl]-oxomethyl]-4-piperidinyl]-1H-benzimidazol-2-one IUPAC Name: 3-[1-[5-(3-methoxyphenyl)-2-(4-nitrophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[1-[5-(3-methoxyphenyl)-2-(4-nitrophenyl)pyrazole-3-carbonyl]-4-piperidyl]-1H-benzimidazol-2-one Formula: C29H26N6O5 MolecularWeight: 538.55394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C(=C2)C(=O)N3CCC(CC3)N4C5=CC=CC=C5NC4=O)C6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C(=C2)C(=O)N3CCC(CC3)N4C5=CC=CC=C5NC4=O)C6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C29H26N6O5/c1-40-23-6-4-5-19(17-23)25-18-27(34(31-25)21-9-11-22(12-10-21)35(38)39)28(36)32-15-13-20(14-16-32)33-26-8-3-2-7-24(26)30-29(33)37/h2-12,17-18,20H,13-16H2,1H3,(H,30,37)