4-[2-[1-methyl-5-[4-(4-nitrophenyl)carbonylpiperazin-1-yl]carbonyl-benzimidazol-2-yl]ethyl]benzenecarboximidamide

Systemtic Name: 4-[2-[1-methyl-5-[4-(4-nitrophenyl)carbonylpiperazin-1-yl]carbonyl-benzimidazol-2-yl]ethyl]benzenecarboximidamide Openeye Name: 4-[2-[1-methyl-5-[4-(4-nitrobenzoyl)piperazine-1-carbonyl]benzimidazol-2-yl]ethyl]benzamidine CAS Name: 4-[2-[1-methyl-5-[[4-[(4-nitrophenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-2-benzimidazolyl]ethyl]benzenecarboximidamide IUPAC Name: 4-[2-[1-methyl-5-[4-(4-nitrobenzoyl)piperazine-1-carbonyl]benzimidazol-2-yl]ethyl]benzenecarboximidamide Traditional Name: 4-[2-[1-methyl-5-[4-(4-nitrobenzoyl)piperazine-1-carbonyl]benzimidazol-2-yl]ethyl]benzamidine Formula: C29H29N7O4 MolecularWeight: 539.58506

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])N=C1CCC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])N=C1CCC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C29H29N7O4/c1-33-25-12-9-22(18-24(25)32-26(33)13-4-19-2-5-20(6-3-19)27(30)31)29(38)35-16-14-34(15-17-35)28(37)21-7-10-23(11-8-21)36(39)40/h2-3,5-12,18H,4,13-17H2,1H3,(H3,30,31)