6-(4-methoxyphenyl)-4-oxidanylidene-2-[4-(phenylcarbonyl)piperazin-1-yl]-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(4-methoxyphenyl)-4-oxidanylidene-2-[4-(phenylcarbonyl)piperazin-1-yl]-1H-pyrimidine-5-carbonitrile Openeye Name: 2-(4-benzoylpiperazin-1-yl)-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-(4-benzoyl-1-piperazinyl)-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(4-benzoylpiperazin-1-yl)-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(4-benzoylpiperazino)-4-keto-6-(4-methoxyphenyl)-1H-pyrimidine-5-carbonitrile Formula: C23H21N5O3 MolecularWeight: 415.44454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)N3CCN(CC3)C(=O)C4=CC=CC=C4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)N3CCN(CC3)C(=O)C4=CC=CC=C4)C#N

InChI

InChI=1S/C23H21N5O3/c1-31-18-9-7-16(8-10-18)20-19(15-24)21(29)26-23(25-20)28-13-11-27(12-14-28)22(30)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H,25,26,29)