3-methyl-1-[(4R,7S)-4-methyl-3-phenyl-7-propan-2-yl-4,5,6,7-tetrahydroindazol-2-yl]butan-1-one

Systemtic Name: 3-methyl-1-[(4R,7S)-4-methyl-3-phenyl-7-propan-2-yl-4,5,6,7-tetrahydroindazol-2-yl]butan-1-one Openeye Name: 1-[(4R,7S)-7-isopropyl-4-methyl-3-phenyl-4,5,6,7-tetrahydroindazol-2-yl]-3-methyl-butan-1-one CAS Name: 3-methyl-1-[(4R,7S)-4-methyl-3-phenyl-7-propan-2-yl-4,5,6,7-tetrahydroindazol-2-yl]-1-butanone IUPAC Name: 3-methyl-1-[(4R,7S)-4-methyl-3-phenyl-7-propan-2-yl-4,5,6,7-tetrahydroindazol-2-yl]butan-1-one Traditional Name: 1-[(4R,7S)-7-isopropyl-4-methyl-3-phenyl-4,5,6,7-tetrahydroindazol-2-yl]-3-methyl-butan-1-one Formula: C22H30N2O MolecularWeight: 338.4864

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C2=NN(C(=C12)C3=CC=CC=C3)C(=O)CC(C)C)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H](C2=NN(C(=C12)C3=CC=CC=C3)C(=O)CC(C)C)C(C)C

InChI

InChI=1S/C22H30N2O/c1-14(2)13-19(25)24-22(17-9-7-6-8-10-17)20-16(5)11-12-18(15(3)4)21(20)23-24/h6-10,14-16,18H,11-13H2,1-5H3/t16-,18+/m1/s1