4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzenecarbonitrile

Systemtic Name: 4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzenecarbonitrile Openeye Name: 4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzonitrile CAS Name: 4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzonitrile IUPAC Name: 4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzonitrile Traditional Name: 4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzonitrile Formula: C20H16N4O MolecularWeight: 328.36724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H16N4O/c1-3-10-24(17-7-4-15(12-21)5-8-17)13-16-6-9-19-18(11-16)20(25)23-14(2)22-19/h1,4-9,11H,10,13H2,2H3,(H,22,23,25)