methyl 4-chloranyl-2-[[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-chloranyl-2-[[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]carbonylamino]benzoate Openeye Name: methyl 4-chloro-2-[[4-(1-methylbenzimidazol-2-yl)piperazine-1-carbonyl]amino]benzoate CAS Name: 4-chloro-2-[[[4-(1-methyl-2-benzimidazolyl)-1-piperazinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-2-[[4-(1-methylbenzimidazol-2-yl)piperazine-1-carbonyl]amino]benzoate Traditional Name: 4-chloro-2-[[4-(1-methylbenzimidazol-2-yl)piperazine-1-carbonyl]amino]benzoic acid methyl ester Formula: C21H22ClN5O3 MolecularWeight: 427.88408

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1N3CCN(CC3)C(=O)NC4=C(C=CC(=C4)Cl)C(=O)OC

Isomeric SMILES

CN1C2=CC=CC=C2N=C1N3CCN(CC3)C(=O)NC4=C(C=CC(=C4)Cl)C(=O)OC

InChI

InChI=1S/C21H22ClN5O3/c1-25-18-6-4-3-5-16(18)23-20(25)26-9-11-27(12-10-26)21(29)24-17-13-14(22)7-8-15(17)19(28)30-2/h3-8,13H,9-12H2,1-2H3,(H,24,29)