5-[[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]methyl]-1,2-dihydropyrazol-3-one

Systemtic Name: 5-[[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]methyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-[[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]methyl]-1,2-dihydropyrazol-3-one CAS Name: 5-[[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]methyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-[[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]methyl]-1,2-dihydropyrazol-3-one Traditional Name: 5-[[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]methyl]-3-pyrazolin-3-one Formula: C21H18ClN3O3 MolecularWeight: 395.83892

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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)NN4

Isomeric SMILES

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC4=CC(=O)NN4

InChI

InChI=1S/C21H18ClN3O3/c1-12-17(9-15-10-20(26)24-23-15)18-11-16(28-2)7-8-19(18)25(12)21(27)13-3-5-14(22)6-4-13/h3-8,10-11H,9H2,1-2H3,(H2,23,24,26)