2-[(E)-3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]benzenecarbonitrile

Systemtic Name: 2-[(E)-3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]benzenecarbonitrile Openeye Name: 2-[(E)-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]benzonitrile CAS Name: 2-[(E)-3-oxo-3-[4-(2-pyrimidinyl)-1-piperazinyl]prop-1-enyl]benzonitrile IUPAC Name: 2-[(E)-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]benzonitrile Traditional Name: 2-[(E)-3-keto-3-[4-(2-pyrimidyl)piperazino]prop-1-enyl]benzonitrile Formula: C18H17N5O MolecularWeight: 319.36048

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C=CC3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)/C=C/C3=CC=CC=C3C#N

InChI

InChI=1S/C18H17N5O/c19-14-16-5-2-1-4-15(16)6-7-17(24)22-10-12-23(13-11-22)18-20-8-3-9-21-18/h1-9H,10-13H2/b7-6+