4-azanyl-2-[(3,4-dichlorophenyl)methyl-(piperidin-4-ylmethyl)amino]benzimidazole-1-carboxylic acid

Systemtic Name: 4-azanyl-2-[(3,4-dichlorophenyl)methyl-(piperidin-4-ylmethyl)amino]benzimidazole-1-carboxylic acid Openeye Name: 4-amino-2-[(3,4-dichlorophenyl)methyl-(4-piperidylmethyl)amino]benzimidazole-1-carboxylic acid CAS Name: 4-amino-2-[(3,4-dichlorophenyl)methyl-(4-piperidinylmethyl)amino]-1-benzimidazolecarboxylic acid IUPAC Name: 4-amino-2-[(3,4-dichlorophenyl)methyl-(piperidin-4-ylmethyl)amino]benzimidazole-1-carboxylic acid Traditional Name: 4-amino-2-[(3,4-dichlorobenzyl)-(4-piperidylmethyl)amino]benzimidazole-1-carboxylic acid Formula: C21H23Cl2N5O2 MolecularWeight: 448.34562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CN(CC2=CC(=C(C=C2)Cl)Cl)C3=NC4=C(N3C(=O)O)C=CC=C4N

Isomeric SMILES

C1CNCCC1CN(CC2=CC(=C(C=C2)Cl)Cl)C3=NC4=C(N3C(=O)O)C=CC=C4N

InChI

InChI=1S/C21H23Cl2N5O2/c22-15-5-4-14(10-16(15)23)12-27(11-13-6-8-25-9-7-13)20-26-19-17(24)2-1-3-18(19)28(20)21(29)30/h1-5,10,13,25H,6-9,11-12,24H2,(H,29,30)