3-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]-2-methyl-quinazolin-4-one

Systemtic Name: 3-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]-2-methyl-quinazolin-4-one Openeye Name: 3-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]-2-methyl-quinazolin-4-one CAS Name: 3-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]-2-methyl-4-quinazolinone IUPAC Name: 3-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]-2-methylquinazolin-4-one Traditional Name: 3-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]-2-methyl-quinazolin-4-one Formula: C21H16N4O MolecularWeight: 340.37794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1CC#CC3=CC4=C(C=CC=NN4)C=C3

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1CC#CC3=CC4=C(C=CC=NN4)C=C3

InChI

InChI=1S/C21H16N4O/c1-15-23-19-9-3-2-8-18(19)21(26)25(15)13-5-6-16-10-11-17-7-4-12-22-24-20(17)14-16/h2-4,7-12,14,24H,13H2,1H3