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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C#N)C(=O)C2=CC3=CC=CC=C3C=N2)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(C#N)C(=O)C2=CC3=CC=CC=C3C=N2)C(=O)C4=CC=CC=C4

InChI

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