6-azanyl-3-tert-butyl-4-(3-iodanylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Systemtic Name: 6-azanyl-3-tert-butyl-4-(3-iodanylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-3-tert-butyl-4-(3-iodophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-3-tert-butyl-4-(3-iodophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-3-tert-butyl-4-(3-iodophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-3-tert-butyl-4-(3-iodophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C17H17IN4O MolecularWeight: 420.24755

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=CC=C3)I

Isomeric SMILES

CC(C)(C)C1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=CC=C3)I

InChI

InChI=1S/C17H17IN4O/c1-17(2,3)14-13-12(9-5-4-6-10(18)7-9)11(8-19)15(20)23-16(13)22-21-14/h4-7,12H,20H2,1-3H3,(H,21,22)