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

Systemtic Name: 6-azanyl-4-(1,3-benzodioxol-5-yl)-3-(4-bromophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-4-(1,3-benzodioxol-5-yl)-3-(4-bromophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-4-(1,3-benzodioxol-5-yl)-3-(4-bromophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-4-(1,3-benzodioxol-5-yl)-3-(4-bromophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-4-(1,3-benzodioxol-5-yl)-3-(4-bromophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C20H13BrN4O3 MolecularWeight: 437.24622

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3C(=C(OC4=NNC(=C34)C5=CC=C(C=C5)Br)N)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3C(=C(OC4=NNC(=C34)C5=CC=C(C=C5)Br)N)C#N

InChI

InChI=1S/C20H13BrN4O3/c21-12-4-1-10(2-5-12)18-17-16(11-3-6-14-15(7-11)27-9-26-14)13(8-22)19(23)28-20(17)25-24-18/h1-7,16H,9,23H2,(H,24,25)