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

Systemtic Name: 6-azanyl-4-(6-bromanyl-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-4-(6-bromo-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-4-(6-bromo-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-4-(6-bromo-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-4-(6-bromo-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C21H15BrN4O4 MolecularWeight: 467.2722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC5=C(C=C4Br)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC5=C(C=C4Br)OCO5

InChI

InChI=1S/C21H15BrN4O4/c1-27-11-4-2-10(3-5-11)19-18-17(13(8-23)20(24)30-21(18)26-25-19)12-6-15-16(7-14(12)22)29-9-28-15/h2-7,17H,9,24H2,1H3,(H,25,26)