2-[4-[[7-ethyl-4-methyl-2-oxidanylidene-3-(2-oxidanylidenepropyl)quinolin-1-yl]methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[[7-ethyl-4-methyl-2-oxidanylidene-3-(2-oxidanylidenepropyl)quinolin-1-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(3-acetonyl-7-ethyl-4-methyl-2-oxo-1-quinolyl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[[7-ethyl-4-methyl-2-oxo-3-(2-oxopropyl)-1-quinolinyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[7-ethyl-4-methyl-2-oxo-3-(2-oxopropyl)quinolin-1-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(3-acetonyl-7-ethyl-2-keto-4-methyl-1-quinolyl)methyl]phenyl]benzonitrile Formula: C29H26N2O2 MolecularWeight: 434.52894

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=C(C(=O)N2CC3=CC=C(C=C3)C4=CC=CC=C4C#N)CC(=O)C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=C(C(=O)N2CC3=CC=C(C=C3)C4=CC=CC=C4C#N)CC(=O)C)C

InChI

InChI=1S/C29H26N2O2/c1-4-21-11-14-25-20(3)27(15-19(2)32)29(33)31(28(25)16-21)18-22-9-12-23(13-10-22)26-8-6-5-7-24(26)17-30/h5-14,16H,4,15,18H2,1-3H3