[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperidin-1-yl]-(2-nitrophenyl)methanone

Systemtic Name: [4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperidin-1-yl]-(2-nitrophenyl)methanone Openeye Name: [4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-1-piperidyl]-(2-nitrophenyl)methanone CAS Name: [4-[(5,6-dimethyl-1-benzimidazolyl)methyl]-1-piperidinyl]-(2-nitrophenyl)methanone IUPAC Name: [4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperidin-1-yl]-(2-nitrophenyl)methanone Traditional Name: [4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperidino]-(2-nitrophenyl)methanone Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C=N2)CC3CCN(CC3)C(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C=N2)CC3CCN(CC3)C(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O3/c1-15-11-19-21(12-16(15)2)25(14-23-19)13-17-7-9-24(10-8-17)22(27)18-5-3-4-6-20(18)26(28)29/h3-6,11-12,14,17H,7-10,13H2,1-2H3