[4-[(1-methyl-5-nitro-benzimidazol-2-yl)methyl]piperazin-1-yl]-(4-methylphenyl)methanone

Systemtic Name: [4-[(1-methyl-5-nitro-benzimidazol-2-yl)methyl]piperazin-1-yl]-(4-methylphenyl)methanone Openeye Name: [4-[(1-methyl-5-nitro-benzimidazol-2-yl)methyl]piperazin-1-yl]-(p-tolyl)methanone CAS Name: [4-[(1-methyl-5-nitro-2-benzimidazolyl)methyl]-1-piperazinyl]-(4-methylphenyl)methanone IUPAC Name: [4-[(1-methyl-5-nitrobenzimidazol-2-yl)methyl]piperazin-1-yl]-(4-methylphenyl)methanone Traditional Name: [4-[(1-methyl-5-nitro-benzimidazol-2-yl)methyl]piperazino]-(p-tolyl)methanone Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=NC4=C(N3C)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=NC4=C(N3C)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O3/c1-15-3-5-16(6-4-15)21(27)25-11-9-24(10-12-25)14-20-22-18-13-17(26(28)29)7-8-19(18)23(20)2/h3-8,13H,9-12,14H2,1-2H3