2-tert-butyl-5-[[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]methyl]-1H-pyrazol-3-one

Systemtic Name: 2-tert-butyl-5-[[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]methyl]-1H-pyrazol-3-one Openeye Name: 2-tert-butyl-5-[[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]methyl]-1H-pyrazol-3-one CAS Name: 2-tert-butyl-5-[[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]methyl]-1H-pyrazol-3-one IUPAC Name: 2-tert-butyl-5-[[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]methyl]-1H-pyrazol-3-one Traditional Name: 2-tert-butyl-5-[[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]methyl]-3-pyrazolin-3-one Formula: C25H26ClN3O3 MolecularWeight: 451.94524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC4=CC(=O)N(N4)C(C)(C)C

Isomeric SMILES

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC4=CC(=O)N(N4)C(C)(C)C

InChI

InChI=1S/C25H26ClN3O3/c1-15-20(12-18-13-23(30)29(27-18)25(2,3)4)21-14-19(32-5)10-11-22(21)28(15)24(31)16-6-8-17(26)9-7-16/h6-11,13-14,27H,12H2,1-5H3