4-[2-[4-(3-bromanylpropoxy)-3-phenyl-phenyl]hydrazinyl]-5-(3,4-dimethoxyphenyl)pyrazol-3-one

Systemtic Name: 4-[2-[4-(3-bromanylpropoxy)-3-phenyl-phenyl]hydrazinyl]-5-(3,4-dimethoxyphenyl)pyrazol-3-one Openeye Name: 4-[2-[4-(3-bromopropoxy)-3-phenyl-phenyl]hydrazino]-5-(3,4-dimethoxyphenyl)pyrazol-3-one CAS Name: 4-[[4-(3-bromopropoxy)-3-phenylphenyl]hydrazo]-5-(3,4-dimethoxyphenyl)-3-pyrazolone IUPAC Name: 4-[2-[4-(3-bromopropoxy)-3-phenylphenyl]hydrazinyl]-5-(3,4-dimethoxyphenyl)pyrazol-3-one Traditional Name: 4-[N'-[4-(3-bromopropoxy)-3-phenyl-phenyl]hydrazino]-5-(3,4-dimethoxyphenyl)pyrazol-3-one Formula: C26H25BrN4O4 MolecularWeight: 537.4051

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=O)N=N2)NNC3=CC(=C(C=C3)OCCCBr)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=O)N=N2)NNC3=CC(=C(C=C3)OCCCBr)C4=CC=CC=C4)OC

InChI

InChI=1S/C26H25BrN4O4/c1-33-22-11-9-18(15-23(22)34-2)24-25(26(32)31-29-24)30-28-19-10-12-21(35-14-6-13-27)20(16-19)17-7-4-3-5-8-17/h3-5,7-12,15-16,28H,6,13-14H2,1-2H3,(H,30,31,32)