2-[4-[(4-chlorophenyl)-piperazin-1-yl-methyl]phenyl]-3H-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[4-[(4-chlorophenyl)-piperazin-1-yl-methyl]phenyl]-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-[4-[(4-chlorophenyl)-piperazin-1-yl-methyl]phenyl]-3H-benzimidazole-5-carboxylic acid CAS Name: 2-[4-[(4-chlorophenyl)-(1-piperazinyl)methyl]phenyl]-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-[4-[(4-chlorophenyl)-piperazin-1-ylmethyl]phenyl]-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-[4-[(4-chlorophenyl)-piperazino-methyl]phenyl]-3H-benzimidazole-5-carboxylic acid Formula: C25H23ClN4O2 MolecularWeight: 446.92872

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(C2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)C(=O)O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1)C(C2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)C(=O)O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H23ClN4O2/c26-20-8-5-17(6-9-20)23(30-13-11-27-12-14-30)16-1-3-18(4-2-16)24-28-21-10-7-19(25(31)32)15-22(21)29-24/h1-10,15,23,27H,11-14H2,(H,28,29)(H,31,32)