4-[2-[1-methyl-5-[4-(phenylmethyl)piperazin-1-yl]carbonyl-benzimidazol-2-yl]ethyl]-N'-oxidanyl-benzenecarboximidamide

Systemtic Name: 4-[2-[1-methyl-5-[4-(phenylmethyl)piperazin-1-yl]carbonyl-benzimidazol-2-yl]ethyl]-N'-oxidanyl-benzenecarboximidamide Openeye Name: 4-[2-[5-(4-benzylpiperazine-1-carbonyl)-1-methyl-benzimidazol-2-yl]ethyl]-N'-hydroxy-benzamidine CAS Name: N'-hydroxy-4-[2-[1-methyl-5-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-2-benzimidazolyl]ethyl]benzenecarboximidamide IUPAC Name: 4-[2-[5-(4-benzylpiperazine-1-carbonyl)-1-methylbenzimidazol-2-yl]ethyl]-N'-hydroxybenzenecarboximidamide Traditional Name: 4-[2-[5-(4-benzylpiperazine-1-carbonyl)-1-methyl-benzimidazol-2-yl]ethyl]-N'-hydroxy-benzamidine Formula: C29H32N6O2 MolecularWeight: 496.60338

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)N=C1CCC5=CC=C(C=C5)C(=NO)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)N=C1CCC5=CC=C(C=C5)/C(=N/O)/N

InChI

InChI=1S/C29H32N6O2/c1-33-26-13-12-24(29(36)35-17-15-34(16-18-35)20-22-5-3-2-4-6-22)19-25(26)31-27(33)14-9-21-7-10-23(11-8-21)28(30)32-37/h2-8,10-13,19,37H,9,14-18,20H2,1H3,(H2,30,32)