3,5-ditert-butyl-1-(4-pyrrol-1-ylphenyl)pyrazole

Systemtic Name: 3,5-ditert-butyl-1-(4-pyrrol-1-ylphenyl)pyrazole Openeye Name: 3,5-ditert-butyl-1-(4-pyrrol-1-ylphenyl)pyrazole CAS Name: 3,5-ditert-butyl-1-[4-(1-pyrrolyl)phenyl]pyrazole IUPAC Name: 3,5-ditert-butyl-1-(4-pyrrol-1-ylphenyl)pyrazole Traditional Name: 3,5-ditert-butyl-1-(4-pyrrol-1-ylphenyl)pyrazole Formula: C21H27N3 MolecularWeight: 321.45918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NN1C2=CC=C(C=C2)N3C=CC=C3)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=NN1C2=CC=C(C=C2)N3C=CC=C3)C(C)(C)C

InChI

InChI=1S/C21H27N3/c1-20(2,3)18-15-19(21(4,5)6)24(22-18)17-11-9-16(10-12-17)23-13-7-8-14-23/h7-15H,1-6H3