2-[(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-(3-phenylmethoxyphenyl)methyl]propanedinitrile

Systemtic Name: 2-[(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-(3-phenylmethoxyphenyl)methyl]propanedinitrile Openeye Name: 2-[(3-benzyloxyphenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]propanedinitrile CAS Name: 2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(3-phenylmethoxyphenyl)methyl]propanedinitrile IUPAC Name: 2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(3-phenylmethoxyphenyl)methyl]propanedinitrile Traditional Name: 2-[(3-benzoxyphenyl)-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)methyl]malononitrile Formula: C27H22N4O2 MolecularWeight: 434.48918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC(=CC=C3)OCC4=CC=CC=C4)C(C#N)C#N

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC(=CC=C3)OCC4=CC=CC=C4)C(C#N)C#N

InChI

InChI=1S/C27H22N4O2/c1-19-25(27(32)31(30-19)23-12-6-3-7-13-23)26(22(16-28)17-29)21-11-8-14-24(15-21)33-18-20-9-4-2-5-10-20/h2-15,22,26,30H,18H2,1H3