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

Systemtic Name: 6-azanyl-4-(2-bromanyl-4,5-dimethoxy-phenyl)-3-(3-ethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-4-(2-bromo-4,5-dimethoxy-phenyl)-3-(3-ethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-4-(2-bromo-4,5-dimethoxyphenyl)-3-(3-ethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-4-(2-bromo-4,5-dimethoxyphenyl)-3-(3-ethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-4-(2-bromo-4,5-dimethoxy-phenyl)-3-m-phenetyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C23H21BrN4O4 MolecularWeight: 497.34124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC(=C(C=C4Br)OC)OC

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC(=C(C=C4Br)OC)OC

InChI

InChI=1S/C23H21BrN4O4/c1-4-31-13-7-5-6-12(8-13)21-20-19(15(11-25)22(26)32-23(20)28-27-21)14-9-17(29-2)18(30-3)10-16(14)24/h5-10,19H,4,26H2,1-3H3,(H,27,28)