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

Systemtic Name: (E)-1-[(4R,7S)-4-methyl-3-phenyl-7-propan-2-yl-4,5,6,7-tetrahydroindazol-2-yl]pent-2-en-1-one Openeye Name: (E)-1-[(4R,7S)-7-isopropyl-4-methyl-3-phenyl-4,5,6,7-tetrahydroindazol-2-yl]pent-2-en-1-one CAS Name: (E)-1-[(4R,7S)-4-methyl-3-phenyl-7-propan-2-yl-4,5,6,7-tetrahydroindazol-2-yl]-2-penten-1-one IUPAC Name: (E)-1-[(4R,7S)-4-methyl-3-phenyl-7-propan-2-yl-4,5,6,7-tetrahydroindazol-2-yl]pent-2-en-1-one Traditional Name: (E)-1-[(4R,7S)-7-isopropyl-4-methyl-3-phenyl-4,5,6,7-tetrahydroindazol-2-yl]pent-2-en-1-one Formula: C22H28N2O MolecularWeight: 336.47052

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CC(=O)N1C(=C2C(CCC(C2=N1)C(C)C)C)C3=CC=CC=C3

Isomeric SMILES

CC/C=C/C(=O)N1C(=C2[C@@H](CC[C@H](C2=N1)C(C)C)C)C3=CC=CC=C3

InChI

InChI=1S/C22H28N2O/c1-5-6-12-19(25)24-22(17-10-8-7-9-11-17)20-16(4)13-14-18(15(2)3)21(20)23-24/h6-12,15-16,18H,5,13-14H2,1-4H3/b12-6+/t16-,18+/m1/s1