5-[[5-chloranyl-1-(4-methoxyphenyl)carbonyl-2-methyl-indol-3-yl]methyl]-2-cyclohexyl-1H-pyrazol-3-one

Systemtic Name: 5-[[5-chloranyl-1-(4-methoxyphenyl)carbonyl-2-methyl-indol-3-yl]methyl]-2-cyclohexyl-1H-pyrazol-3-one Openeye Name: 5-[[5-chloro-1-(4-methoxybenzoyl)-2-methyl-indol-3-yl]methyl]-2-cyclohexyl-1H-pyrazol-3-one CAS Name: 5-[[5-chloro-1-[(4-methoxyphenyl)-oxomethyl]-2-methyl-3-indolyl]methyl]-2-cyclohexyl-1H-pyrazol-3-one IUPAC Name: 5-[[5-chloro-1-(4-methoxybenzoyl)-2-methylindol-3-yl]methyl]-2-cyclohexyl-1H-pyrazol-3-one Traditional Name: 5-[(5-chloro-2-methyl-1-p-anisoyl-indol-3-yl)methyl]-2-cyclohexyl-3-pyrazolin-3-one Formula: C27H28ClN3O3 MolecularWeight: 477.98252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)OC)C=CC(=C2)Cl)CC4=CC(=O)N(N4)C5CCCCC5

Isomeric SMILES

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)OC)C=CC(=C2)Cl)CC4=CC(=O)N(N4)C5CCCCC5

InChI

InChI=1S/C27H28ClN3O3/c1-17-23(15-20-16-26(32)31(29-20)21-6-4-3-5-7-21)24-14-19(28)10-13-25(24)30(17)27(33)18-8-11-22(34-2)12-9-18/h8-14,16,21,29H,3-7,15H2,1-2H3