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

Systemtic Name: 6-azanyl-4-(5-bromanyl-2-phenylmethoxy-phenyl)-3-(4-ethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-4-(2-benzyloxy-5-bromo-phenyl)-3-(4-ethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-4-(5-bromo-2-phenylmethoxyphenyl)-3-(4-ethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-4-(5-bromo-2-phenylmethoxyphenyl)-3-(4-ethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-4-(2-benzoxy-5-bromo-phenyl)-3-p-phenetyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C28H23BrN4O3 MolecularWeight: 543.41122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=C(C=CC(=C4)Br)OCC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=C(C=CC(=C4)Br)OCC5=CC=CC=C5

InChI

InChI=1S/C28H23BrN4O3/c1-2-34-20-11-8-18(9-12-20)26-25-24(22(15-30)27(31)36-28(25)33-32-26)21-14-19(29)10-13-23(21)35-16-17-6-4-3-5-7-17/h3-14,24H,2,16,31H2,1H3,(H,32,33)