3-tert-butyl-2-phenyl-5,6,7,7a-tetrahydro-1H-indazol-4-one

Systemtic Name: 3-tert-butyl-2-phenyl-5,6,7,7a-tetrahydro-1H-indazol-4-one Openeye Name: 3-tert-butyl-2-phenyl-5,6,7,7a-tetrahydro-1H-indazol-4-one CAS Name: 3-tert-butyl-2-phenyl-5,6,7,7a-tetrahydro-1H-indazol-4-one IUPAC Name: 3-tert-butyl-2-phenyl-5,6,7,7a-tetrahydro-1H-indazol-4-one Traditional Name: 3-tert-butyl-2-phenyl-5,6,7,7a-tetrahydro-1H-indazol-4-one Formula: C17H22N2O MolecularWeight: 270.36938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C2C(CCCC2=O)NN1C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=C2C(CCCC2=O)NN1C3=CC=CC=C3

InChI

InChI=1S/C17H22N2O/c1-17(2,3)16-15-13(10-7-11-14(15)20)18-19(16)12-8-5-4-6-9-12/h4-6,8-9,13,18H,7,10-11H2,1-3H3