2-[2-methyl-4-(phenylcarbonyl)piperazin-1-yl]-3-(6-oxidanylquinolin-2-yl)imino-propanenitrile

Systemtic Name: 2-[2-methyl-4-(phenylcarbonyl)piperazin-1-yl]-3-(6-oxidanylquinolin-2-yl)imino-propanenitrile Openeye Name: 2-(4-benzoyl-2-methyl-piperazin-1-yl)-3-[(6-hydroxy-2-quinolyl)imino]propanenitrile CAS Name: 2-(4-benzoyl-2-methyl-1-piperazinyl)-3-[(6-hydroxy-2-quinolinyl)imino]propanenitrile IUPAC Name: 2-(4-benzoyl-2-methylpiperazin-1-yl)-3-(6-hydroxyquinolin-2-yl)iminopropanenitrile Traditional Name: 2-(4-benzoyl-2-methyl-piperazino)-3-[(6-hydroxy-2-quinolyl)imino]propionitrile Formula: C24H23N5O2 MolecularWeight: 413.47172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(C=NC2=NC3=C(C=C2)C=C(C=C3)O)C#N)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1CN(CCN1C(C=NC2=NC3=C(C=C2)C=C(C=C3)O)C#N)C(=O)C4=CC=CC=C4

InChI

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