6-azanyl-4-(6-bromanyl-1,3-benzodioxol-5-yl)-3-(4-butoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Systemtic Name: 6-azanyl-4-(6-bromanyl-1,3-benzodioxol-5-yl)-3-(4-butoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-4-(6-bromo-1,3-benzodioxol-5-yl)-3-(4-butoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-4-(6-bromo-1,3-benzodioxol-5-yl)-3-(4-butoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-4-(6-bromo-1,3-benzodioxol-5-yl)-3-(4-butoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-4-(6-bromo-1,3-benzodioxol-5-yl)-3-(4-butoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C24H21BrN4O4 MolecularWeight: 509.35194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC5=C(C=C4Br)OCO5

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC5=C(C=C4Br)OCO5

InChI

InChI=1S/C24H21BrN4O4/c1-2-3-8-30-14-6-4-13(5-7-14)22-21-20(16(11-26)23(27)33-24(21)29-28-22)15-9-18-19(10-17(15)25)32-12-31-18/h4-7,9-10,20H,2-3,8,12,27H2,1H3,(H,28,29)