tert-butyl 5-chloranyl-3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxidanylidene-benzimidazole-1-carboxylate

Systemtic Name: tert-butyl 5-chloranyl-3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxidanylidene-benzimidazole-1-carboxylate Openeye Name: tert-butyl 5-chloro-3-[(1-isopentylbenzimidazol-2-yl)methyl]-2-oxo-benzimidazole-1-carboxylate CAS Name: 5-chloro-3-[[1-(3-methylbutyl)-2-benzimidazolyl]methyl]-2-oxo-1-benzimidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-chloro-3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazole-1-carboxylate Traditional Name: 5-chloro-3-[(1-isoamylbenzimidazol-2-yl)methyl]-2-keto-benzimidazole-1-carboxylic acid tert-butyl ester Formula: C25H29ClN4O3 MolecularWeight: 468.97576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC=C2N=C1CN3C4=C(C=CC(=C4)Cl)N(C3=O)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CCN1C2=CC=CC=C2N=C1CN3C4=C(C=CC(=C4)Cl)N(C3=O)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H29ClN4O3/c1-16(2)12-13-28-19-9-7-6-8-18(19)27-22(28)15-29-21-14-17(26)10-11-20(21)30(23(29)31)24(32)33-25(3,4)5/h6-11,14,16H,12-13,15H2,1-5H3