6-azanyl-4-(3-bromanyl-4-methoxy-phenyl)-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Systemtic Name: 6-azanyl-4-(3-bromanyl-4-methoxy-phenyl)-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-4-(3-bromo-4-methoxy-phenyl)-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-4-(3-bromo-4-methoxyphenyl)-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-4-(3-bromo-4-methoxyphenyl)-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-4-(3-bromo-4-methoxy-phenyl)-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C21H17BrN4O3 MolecularWeight: 453.28868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(=C(OC3=NNC(=C23)C4=CC(=CC=C4)OC)N)C#N)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2C(=C(OC3=NNC(=C23)C4=CC(=CC=C4)OC)N)C#N)Br

InChI

InChI=1S/C21H17BrN4O3/c1-27-13-5-3-4-12(8-13)19-18-17(11-6-7-16(28-2)15(22)9-11)14(10-23)20(24)29-21(18)26-25-19/h3-9,17H,24H2,1-2H3,(H,25,26)