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

Systemtic Name: 3-azanylidene-2-[2-methyl-4-(phenylcarbonyl)piperazin-1-yl]-3-(5-oxidanylidene-1H-quinolin-2-yl)propanenitrile Openeye Name: 2-(4-benzoyl-2-methyl-piperazin-1-yl)-3-imino-3-(5-oxo-1H-quinolin-2-yl)propanenitrile CAS Name: 2-(4-benzoyl-2-methyl-1-piperazinyl)-3-imino-3-(5-oxo-1H-quinolin-2-yl)propanenitrile IUPAC Name: 2-(4-benzoyl-2-methylpiperazin-1-yl)-3-imino-3-(5-oxo-1H-quinolin-2-yl)propanenitrile Traditional Name: 2-(4-benzoyl-2-methyl-piperazino)-3-imino-3-(5-keto-1H-quinolin-2-yl)propionitrile Formula: C24H23N5O2 MolecularWeight: 413.47172

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(C#N)C(=N)C2=CC=C3C(=O)C=CC=C3N2)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1CN(CCN1C(C#N)C(=N)C2=CC=C3C(=O)C=CC=C3N2)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H23N5O2/c1-16-15-28(24(31)17-6-3-2-4-7-17)12-13-29(16)21(14-25)23(26)20-11-10-18-19(27-20)8-5-9-22(18)30/h2-11,16,21,26-27H,12-13,15H2,1H3