4-[5,7-ditert-butyl-3-(3-hydroxyphenyl)-6-methyl-1H-pyrazolo[1,5-a]pyrimidin-2-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[5,7-ditert-butyl-3-(3-hydroxyphenyl)-6-methyl-1H-pyrazolo[1,5-a]pyrimidin-2-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[5,7-ditert-butyl-3-(3-hydroxyphenyl)-6-methyl-1H-pyrazolo[1,5-a]pyrimidin-2-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[5,7-ditert-butyl-3-(3-hydroxyphenyl)-6-methyl-1H-pyrazolo[1,5-a]pyrimidin-2-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[5,7-ditert-butyl-3-(3-hydroxyphenyl)-6-methyl-1H-pyrazolo[1,5-a]pyrimidin-2-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[5,7-ditert-butyl-3-(3-hydroxyphenyl)-6-methyl-1H-pyrazolo[1,5-a]pyrimidin-2-ylidene]cyclohexa-2,5-dien-1-one Formula: C27H31N3O2 MolecularWeight: 429.55394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(=C(C(=C3C=CC(=O)C=C3)N2)C4=CC(=CC=C4)O)N=C1C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC1=C(N2C(=C(C(=C3C=CC(=O)C=C3)N2)C4=CC(=CC=C4)O)N=C1C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C27H31N3O2/c1-16-23(26(2,3)4)28-25-21(18-9-8-10-20(32)15-18)22(17-11-13-19(31)14-12-17)29-30(25)24(16)27(5,6)7/h8-15,29,32H,1-7H3