[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone

Systemtic Name: [4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone Openeye Name: [4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone CAS Name: [4-(1H-benzimidazol-2-ylmethyl)-1-piperazinyl]-(4-methyl-3-nitrophenyl)methanone IUPAC Name: [4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone Traditional Name: [4-(1H-benzimidazol-2-ylmethyl)piperazino]-(4-methyl-3-nitro-phenyl)methanone Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3/c1-14-6-7-15(12-18(14)25(27)28)20(26)24-10-8-23(9-11-24)13-19-21-16-4-2-3-5-17(16)22-19/h2-7,12H,8-11,13H2,1H3,(H,21,22)