(3aR,4Z,7aS)-6,7a-ditert-butyl-4-[(diphenylmethylidene)hydrazinylidene]-3,3a-dihydroindazol-7-one

Systemtic Name: (3aR,4Z,7aS)-6,7a-ditert-butyl-4-[(diphenylmethylidene)hydrazinylidene]-3,3a-dihydroindazol-7-one Openeye Name: (3aR,4Z,7aS)-4-(benzhydrylidenehydrazono)-6,7a-ditert-butyl-3,3a-dihydroindazol-7-one CAS Name: (3aR,4Z,7aS)-6,7a-ditert-butyl-4-[(diphenylmethylene)hydrazinylidene]-3,3a-dihydroindazol-7-one IUPAC Name: (3aR,4Z,7aS)-4-(benzhydrylidenehydrazinylidene)-6,7a-ditert-butyl-3,3a-dihydroindazol-7-one Traditional Name: (3aR,4Z,7aS)-4-(benzhydrylidenehydrazono)-6,7a-ditert-butyl-3,3a-dihydroindazol-7-one Formula: C28H32N4O MolecularWeight: 440.57988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NN=C(C2=CC=CC=C2)C3=CC=CC=C3)C4CN=NC4(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=C/C(=N/N=C(C2=CC=CC=C2)C3=CC=CC=C3)/[C@@H]4CN=N[C@]4(C1=O)C(C)(C)C

InChI

InChI=1S/C28H32N4O/c1-26(2,3)21-17-23(22-18-29-32-28(22,25(21)33)27(4,5)6)30-31-24(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-17,22H,18H2,1-6H3/b30-23-/t22-,28+/m0/s1