3-[(3-chlorophenyl)methyl]-6-(4-phenylbut-1-ynyl)quinazolin-4-one

Systemtic Name: 3-[(3-chlorophenyl)methyl]-6-(4-phenylbut-1-ynyl)quinazolin-4-one Openeye Name: 3-[(3-chlorophenyl)methyl]-6-(4-phenylbut-1-ynyl)quinazolin-4-one CAS Name: 3-[(3-chlorophenyl)methyl]-6-(4-phenylbut-1-ynyl)-4-quinazolinone IUPAC Name: 3-[(3-chlorophenyl)methyl]-6-(4-phenylbut-1-ynyl)quinazolin-4-one Traditional Name: 3-(3-chlorobenzyl)-6-(4-phenylbut-1-ynyl)quinazolin-4-one Formula: C25H19ClN2O MolecularWeight: 398.88416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC#CC2=CC3=C(C=C2)N=CN(C3=O)CC4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCC#CC2=CC3=C(C=C2)N=CN(C3=O)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H19ClN2O/c26-22-12-6-11-21(15-22)17-28-18-27-24-14-13-20(16-23(24)25(28)29)10-5-4-9-19-7-2-1-3-8-19/h1-3,6-8,11-16,18H,4,9,17H2