6-azanyl-3-(4-bromophenyl)-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Systemtic Name: 6-azanyl-3-(4-bromophenyl)-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-3-(4-bromophenyl)-4-(3,5-ditert-butyl-4-hydroxy-phenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-3-(4-bromophenyl)-4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-3-(4-bromophenyl)-4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-3-(4-bromophenyl)-4-(3,5-ditert-butyl-4-hydroxy-phenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C27H29BrN4O2 MolecularWeight: 521.44876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2C(=C(OC3=NNC(=C23)C4=CC=C(C=C4)Br)N)C#N

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2C(=C(OC3=NNC(=C23)C4=CC=C(C=C4)Br)N)C#N

InChI

InChI=1S/C27H29BrN4O2/c1-26(2,3)18-11-15(12-19(23(18)33)27(4,5)6)20-17(13-29)24(30)34-25-21(20)22(31-32-25)14-7-9-16(28)10-8-14/h7-12,20,33H,30H2,1-6H3,(H,31,32)