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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CN=C2)C(=O)C=CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN1C2=NC=CN=C2)C(=O)/C=C/C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H17N5O/c19-13-16-3-1-15(2-4-16)5-6-18(24)23-11-9-22(10-12-23)17-14-20-7-8-21-17/h1-8,14H,9-12H2/b6-5+