[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(3-nitrophenyl)pyrazol-3-yl]methanone

Systemtic Name: [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(3-nitrophenyl)pyrazol-3-yl]methanone Openeye Name: [3-(1H-benzimidazol-2-yl)-1-piperidyl]-[1-(3-nitrophenyl)pyrazol-3-yl]methanone CAS Name: [3-(1H-benzimidazol-2-yl)-1-piperidinyl]-[1-(3-nitrophenyl)-3-pyrazolyl]methanone IUPAC Name: [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(3-nitrophenyl)pyrazol-3-yl]methanone Traditional Name: [3-(1H-benzimidazol-2-yl)piperidino]-[1-(3-nitrophenyl)pyrazol-3-yl]methanone Formula: C22H20N6O3 MolecularWeight: 416.4326

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=NN(C=C2)C3=CC(=CC=C3)[N+](=O)[O-])C4=NC5=CC=CC=C5N4

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=NN(C=C2)C3=CC(=CC=C3)[N+](=O)[O-])C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C22H20N6O3/c29-22(20-10-12-27(25-20)16-6-3-7-17(13-16)28(30)31)26-11-4-5-15(14-26)21-23-18-8-1-2-9-19(18)24-21/h1-3,6-10,12-13,15H,4-5,11,14H2,(H,23,24)