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

Systemtic Name: 6-azanyl-4-(5-bromanyl-2-phenylmethoxy-phenyl)-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-4-(2-benzyloxy-5-bromo-phenyl)-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-4-(5-bromo-2-phenylmethoxyphenyl)-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-4-(5-bromo-2-phenylmethoxyphenyl)-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-4-(2-benzoxy-5-bromo-phenyl)-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C27H21BrN4O3 MolecularWeight: 529.38464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=C(C=CC(=C4)Br)OCC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=C(C=CC(=C4)Br)OCC5=CC=CC=C5

InChI

InChI=1S/C27H21BrN4O3/c1-33-19-9-5-8-17(12-19)25-24-23(21(14-29)26(30)35-27(24)32-31-25)20-13-18(28)10-11-22(20)34-15-16-6-3-2-4-7-16/h2-13,23H,15,30H2,1H3,(H,31,32)