1-cyclohexyl-3-[2-(dimethylamino)-2-oxidanylidene-ethyl]-2-(3-pyrazol-1-ylphenyl)-3H-indene-5-carboxylic acid

Systemtic Name: 1-cyclohexyl-3-[2-(dimethylamino)-2-oxidanylidene-ethyl]-2-(3-pyrazol-1-ylphenyl)-3H-indene-5-carboxylic acid Openeye Name: 1-cyclohexyl-3-[2-(dimethylamino)-2-oxo-ethyl]-2-(3-pyrazol-1-ylphenyl)-3H-indene-5-carboxylic acid CAS Name: 1-cyclohexyl-3-[2-(dimethylamino)-2-oxoethyl]-2-[3-(1-pyrazolyl)phenyl]-3H-indene-5-carboxylic acid IUPAC Name: 1-cyclohexyl-3-[2-(dimethylamino)-2-oxoethyl]-2-(3-pyrazol-1-ylphenyl)-3H-indene-5-carboxylic acid Traditional Name: 1-cyclohexyl-3-[2-(dimethylamino)-2-keto-ethyl]-2-(3-pyrazol-1-ylphenyl)-3H-indene-5-carboxylic acid Formula: C29H31N3O3 MolecularWeight: 469.57474

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CC1C2=C(C=CC(=C2)C(=O)O)C(=C1C3=CC(=CC=C3)N4C=CC=N4)C5CCCCC5

Isomeric SMILES

CN(C)C(=O)CC1C2=C(C=CC(=C2)C(=O)O)C(=C1C3=CC(=CC=C3)N4C=CC=N4)C5CCCCC5

InChI

InChI=1S/C29H31N3O3/c1-31(2)26(33)18-25-24-17-21(29(34)35)12-13-23(24)27(19-8-4-3-5-9-19)28(25)20-10-6-11-22(16-20)32-15-7-14-30-32/h6-7,10-17,19,25H,3-5,8-9,18H2,1-2H3,(H,34,35)