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

Systemtic Name: methyl 4-chloranyl-2-[[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]carbonylamino]benzoate Openeye Name: methyl 4-chloro-2-[[4-(1-ethylbenzimidazol-2-yl)piperazine-1-carbonyl]amino]benzoate CAS Name: 4-chloro-2-[[[4-(1-ethyl-2-benzimidazolyl)-1-piperazinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-2-[[4-(1-ethylbenzimidazol-2-yl)piperazine-1-carbonyl]amino]benzoate Traditional Name: 4-chloro-2-[[4-(1-ethylbenzimidazol-2-yl)piperazine-1-carbonyl]amino]benzoic acid methyl ester Formula: C22H24ClN5O3 MolecularWeight: 441.91066

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1N3CCN(CC3)C(=O)NC4=C(C=CC(=C4)Cl)C(=O)OC

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1N3CCN(CC3)C(=O)NC4=C(C=CC(=C4)Cl)C(=O)OC

InChI

InChI=1S/C22H24ClN5O3/c1-3-28-19-7-5-4-6-17(19)24-21(28)26-10-12-27(13-11-26)22(30)25-18-14-15(23)8-9-16(18)20(29)31-2/h4-9,14H,3,10-13H2,1-2H3,(H,25,30)