(3R,6S)-3-methyl-2-(5-methyl-1-phenyl-pyrazol-3-yl)carbonyl-6-propan-2-yl-cyclohexan-1-one

Systemtic Name: (3R,6S)-3-methyl-2-(5-methyl-1-phenyl-pyrazol-3-yl)carbonyl-6-propan-2-yl-cyclohexan-1-one Openeye Name: (3R,6S)-6-isopropyl-3-methyl-2-(5-methyl-1-phenyl-pyrazole-3-carbonyl)cyclohexanone CAS Name: (3R,6S)-3-methyl-2-[(5-methyl-1-phenyl-3-pyrazolyl)-oxomethyl]-6-propan-2-yl-1-cyclohexanone IUPAC Name: (3R,6S)-3-methyl-2-(5-methyl-1-phenylpyrazole-3-carbonyl)-6-propan-2-ylcyclohexan-1-one Traditional Name: (3R,6S)-6-isopropyl-3-methyl-2-(5-methyl-1-phenyl-pyrazole-3-carbonyl)cyclohexanone Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(=O)C1C(=O)C2=NN(C(=C2)C)C3=CC=CC=C3)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H](C(=O)C1C(=O)C2=NN(C(=C2)C)C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C21H26N2O2/c1-13(2)17-11-10-14(3)19(20(17)24)21(25)18-12-15(4)23(22-18)16-8-6-5-7-9-16/h5-9,12-14,17,19H,10-11H2,1-4H3/t14-,17+,19?/m1/s1