3-oxidanylidene-2-[4-(phenylcarbonyl)piperazin-1-yl]-3-quinolin-2-yl-propanenitrile

Systemtic Name: 3-oxidanylidene-2-[4-(phenylcarbonyl)piperazin-1-yl]-3-quinolin-2-yl-propanenitrile Openeye Name: 2-(4-benzoylpiperazin-1-yl)-3-oxo-3-(2-quinolyl)propanenitrile CAS Name: 2-(4-benzoyl-1-piperazinyl)-3-oxo-3-(2-quinolinyl)propanenitrile IUPAC Name: 2-(4-benzoylpiperazin-1-yl)-3-oxo-3-quinolin-2-ylpropanenitrile Traditional Name: 2-(4-benzoylpiperazino)-3-keto-3-(2-quinolyl)propionitrile Formula: C23H20N4O2 MolecularWeight: 384.4305

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C#N)C(=O)C2=NC3=CC=CC=C3C=C2)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(C#N)C(=O)C2=NC3=CC=CC=C3C=C2)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H20N4O2/c24-16-21(22(28)20-11-10-17-6-4-5-9-19(17)25-20)26-12-14-27(15-13-26)23(29)18-7-2-1-3-8-18/h1-11,21H,12-15H2