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

Systemtic Name: 4-[5,7-ditert-butyl-3-(3-hydroxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-2-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[5,7-ditert-butyl-3-(3-hydroxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-2-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[5,7-ditert-butyl-3-(3-hydroxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-2-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[5,7-ditert-butyl-3-(3-hydroxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-2-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[5,7-ditert-butyl-3-(3-hydroxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-2-ylidene]cyclohexa-2,5-dien-1-one Formula: C26H29N3O2 MolecularWeight: 415.52736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NC2=C(C(=C3C=CC(=O)C=C3)NN12)C4=CC(=CC=C4)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=NC2=C(C(=C3C=CC(=O)C=C3)NN12)C4=CC(=CC=C4)O)C(C)(C)C

InChI

InChI=1S/C26H29N3O2/c1-25(2,3)20-15-21(26(4,5)6)29-24(27-20)22(17-8-7-9-19(31)14-17)23(28-29)16-10-12-18(30)13-11-16/h7-15,28,31H,1-6H3