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

Systemtic Name: 6-azanyl-4-(1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-4-(1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-4-(1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-4-(1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-4-(1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C21H16N4O4 MolecularWeight: 388.37614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N4O4/c1-26-13-4-2-3-12(7-13)19-18-17(11-5-6-15-16(8-11)28-10-27-15)14(9-22)20(23)29-21(18)25-24-19/h2-8,17H,10,23H2,1H3,(H,24,25)