4-[[4-[4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)phenyl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)phenyl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[4-(2-methyl-4-oxo-quinazolin-3-yl)benzoyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[4-(2-methyl-4-oxo-3-quinazolinyl)phenyl]-oxomethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[4-(4-keto-2-methyl-quinazolin-3-yl)benzoyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C28H26N5O2+ MolecularWeight: 464.53834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)N4CC[NH+](CC4)CC5=CC=C(C=C5)C#N

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)N4CC[NH+](CC4)CC5=CC=C(C=C5)C#N

InChI

InChI=1S/C28H25N5O2/c1-20-30-26-5-3-2-4-25(26)28(35)33(20)24-12-10-23(11-13-24)27(34)32-16-14-31(15-17-32)19-22-8-6-21(18-29)7-9-22/h2-13H,14-17,19H2,1H3/p+1