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

Systemtic Name: 3-[1-[5-(2,4-dimethoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-yl]carbonylpiperidin-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-[5-(2,4-dimethoxyphenyl)-2-(4-nitrophenyl)pyrazole-3-carbonyl]-4-piperidyl]-1H-benzimidazol-2-one CAS Name: 3-[1-[[5-(2,4-dimethoxyphenyl)-2-(4-nitrophenyl)-3-pyrazolyl]-oxomethyl]-4-piperidinyl]-1H-benzimidazol-2-one IUPAC Name: 3-[1-[5-(2,4-dimethoxyphenyl)-2-(4-nitrophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[1-[5-(2,4-dimethoxyphenyl)-2-(4-nitrophenyl)pyrazole-3-carbonyl]-4-piperidyl]-1H-benzimidazol-2-one Formula: C30H28N6O6 MolecularWeight: 568.57992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H28N6O6/c1-41-22-11-12-23(28(17-22)42-2)25-18-27(35(32-25)20-7-9-21(10-8-20)36(39)40)29(37)33-15-13-19(14-16-33)34-26-6-4-3-5-24(26)31-30(34)38/h3-12,17-19H,13-16H2,1-2H3,(H,31,38)