2-[(1,3-diphenylpyrazol-4-yl)methylamino]-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-[(1,3-diphenylpyrazol-4-yl)methylamino]-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[(1,3-diphenylpyrazol-4-yl)methylamino]-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-[(1,3-diphenyl-4-pyrazolyl)methylamino]-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[(1,3-diphenylpyrazol-4-yl)methylamino]-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-[(1,3-diphenylpyrazol-4-yl)methylamino]-4-keto-6-(4-methoxyphenyl)-1H-pyrimidine-5-carbonitrile Formula: C28H22N6O2 MolecularWeight: 474.51328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)NCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)NCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C#N

InChI

InChI=1S/C28H22N6O2/c1-36-23-14-12-20(13-15-23)26-24(16-29)27(35)32-28(31-26)30-17-21-18-34(22-10-6-3-7-11-22)33-25(21)19-8-4-2-5-9-19/h2-15,18H,17H2,1H3,(H2,30,31,32,35)