(E)-3-anthracen-9-yl-2-(6-methyl-4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-anthracen-9-yl-2-(6-methyl-4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(9-anthryl)-2-(6-methyl-4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: (E)-3-(9-anthracenyl)-2-(6-methyl-4-oxo-1H-quinazolin-2-yl)-2-propenenitrile IUPAC Name: (E)-3-anthracen-9-yl-2-(6-methyl-4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(9-anthryl)-2-(4-keto-6-methyl-1H-quinazolin-2-yl)acrylonitrile Formula: C26H17N3O MolecularWeight: 387.43268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=NC2=O)C(=CC3=C4C=CC=CC4=CC5=CC=CC=C53)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=NC2=O)/C(=C/C3=C4C=CC=CC4=CC5=CC=CC=C53)/C#N

InChI

InChI=1S/C26H17N3O/c1-16-10-11-24-23(12-16)26(30)29-25(28-24)19(15-27)14-22-20-8-4-2-6-17(20)13-18-7-3-5-9-21(18)22/h2-14H,1H3,(H,28,29,30)/b19-14+