(E)-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)-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]but-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-buten-1-one IUPAC Name: (E)-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]but-2-en-1-one Formula: C21H26N2O MolecularWeight: 322.44394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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/C21H26N2O/c1-5-9-18(24)23-21(16-10-7-6-8-11-16)19-15(4)12-13-17(14(2)3)20(19)22-23/h5-11,14-15,17H,12-13H2,1-4H3/b9-5+/t15-,17+/m1/s1