3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoate CAS Name: 4-(4-chloro-3,5-dimethyl-1-pyrazolyl)benzoic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C22H21ClN4O3 MolecularWeight: 424.88014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OCCCN3C4=CC=CC=C4NC3=O)C)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OCCCN3C4=CC=CC=C4NC3=O)C)Cl

InChI

InChI=1S/C22H21ClN4O3/c1-14-20(23)15(2)27(25-14)17-10-8-16(9-11-17)21(28)30-13-5-12-26-19-7-4-3-6-18(19)24-22(26)29/h3-4,6-11H,5,12-13H2,1-2H3,(H,24,29)