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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C=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/c1-6-15(4)22(25)24-21(17-10-8-7-9-11-17)19-16(5)12-13-18(14(2)3)20(19)23-24/h6-11,14,16,18H,12-13H2,1-5H3/b15-6+/t16-,18+/m1/s1