[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone

Systemtic Name: [4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone Openeye Name: [4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone CAS Name: [4-[(1-methyl-2-benzimidazolyl)methyl]-1-piperazinyl]-(4-methyl-3-nitrophenyl)methanone IUPAC Name: [4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone Traditional Name: [4-[(1-methylbenzimidazol-2-yl)methyl]piperazino]-(4-methyl-3-nitro-phenyl)methanone Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4N3C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4N3C)[N+](=O)[O-]

InChI

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