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

Systemtic Name: 2-(3-chloranylquinoxalin-2-yl)-3-[2-methyl-4-(phenylcarbonyl)piperazin-1-yl]-3-oxidanylidene-propanenitrile Openeye Name: 3-(4-benzoyl-2-methyl-piperazin-1-yl)-2-(3-chloroquinoxalin-2-yl)-3-oxo-propanenitrile CAS Name: 3-(4-benzoyl-2-methyl-1-piperazinyl)-2-(3-chloro-2-quinoxalinyl)-3-oxopropanenitrile IUPAC Name: 3-(4-benzoyl-2-methylpiperazin-1-yl)-2-(3-chloroquinoxalin-2-yl)-3-oxopropanenitrile Traditional Name: 3-(4-benzoyl-2-methyl-piperazino)-2-(3-chloroquinoxalin-2-yl)-3-keto-propionitrile Formula: C23H20ClN5O2 MolecularWeight: 433.8902

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C(C#N)C2=NC3=CC=CC=C3N=C2Cl)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1CN(CCN1C(=O)C(C#N)C2=NC3=CC=CC=C3N=C2Cl)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H20ClN5O2/c1-15-14-28(22(30)16-7-3-2-4-8-16)11-12-29(15)23(31)17(13-25)20-21(24)27-19-10-6-5-9-18(19)26-20/h2-10,15,17H,11-12,14H2,1H3