3-azanylidene-3-(5-oxidanylidene-1H-quinolin-2-yl)-2-[4-(phenylcarbonyl)piperazin-1-yl]propanenitrile

Systemtic Name: 3-azanylidene-3-(5-oxidanylidene-1H-quinolin-2-yl)-2-[4-(phenylcarbonyl)piperazin-1-yl]propanenitrile Openeye Name: 2-(4-benzoylpiperazin-1-yl)-3-imino-3-(5-oxo-1H-quinolin-2-yl)propanenitrile CAS Name: 2-(4-benzoyl-1-piperazinyl)-3-imino-3-(5-oxo-1H-quinolin-2-yl)propanenitrile IUPAC Name: 2-(4-benzoylpiperazin-1-yl)-3-imino-3-(5-oxo-1H-quinolin-2-yl)propanenitrile Traditional Name: 2-(4-benzoylpiperazino)-3-imino-3-(5-keto-1H-quinolin-2-yl)propionitrile Formula: C23H21N5O2 MolecularWeight: 399.44514

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C#N)C(=N)C2=CC=C3C(=O)C=CC=C3N2)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(C#N)C(=N)C2=CC=C3C(=O)C=CC=C3N2)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H21N5O2/c24-15-20(22(25)19-10-9-17-18(26-19)7-4-8-21(17)29)27-11-13-28(14-12-27)23(30)16-5-2-1-3-6-16/h1-10,20,25-26H,11-14H2