methyl 2-[4-(5-chloranyl-3-phenyl-indazol-1-yl)butanoylamino]benzoate

Systemtic Name: methyl 2-[4-(5-chloranyl-3-phenyl-indazol-1-yl)butanoylamino]benzoate Openeye Name: methyl 2-[4-(5-chloro-3-phenyl-indazol-1-yl)butanoylamino]benzoate CAS Name: 2-[[4-(5-chloro-3-phenyl-1-indazolyl)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(5-chloro-3-phenylindazol-1-yl)butanoylamino]benzoate Traditional Name: 2-[4-(5-chloro-3-phenyl-indazol-1-yl)butanoylamino]benzoic acid methyl ester Formula: C25H22ClN3O3 MolecularWeight: 447.91348

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CCCN2C3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CCCN2C3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4

InChI

InChI=1S/C25H22ClN3O3/c1-32-25(31)19-10-5-6-11-21(19)27-23(30)12-7-15-29-22-14-13-18(26)16-20(22)24(28-29)17-8-3-2-4-9-17/h2-6,8-11,13-14,16H,7,12,15H2,1H3,(H,27,30)