(E)-3-anthracen-9-yl-2-(6,8-dimethyl-4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-anthracen-9-yl-2-(6,8-dimethyl-4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(9-anthryl)-2-(6,8-dimethyl-4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: (E)-3-(9-anthracenyl)-2-(6,8-dimethyl-4-oxo-1H-quinazolin-2-yl)-2-propenenitrile IUPAC Name: (E)-3-anthracen-9-yl-2-(6,8-dimethyl-4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(9-anthryl)-2-(4-keto-6,8-dimethyl-1H-quinazolin-2-yl)acrylonitrile Formula: C27H19N3O MolecularWeight: 401.45926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=O)N=C(N2)C(=CC3=C4C=CC=CC4=CC5=CC=CC=C53)C#N)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=O)N=C(N2)/C(=C/C3=C4C=CC=CC4=CC5=CC=CC=C53)/C#N)C

InChI

InChI=1S/C27H19N3O/c1-16-11-17(2)25-24(12-16)27(31)30-26(29-25)20(15-28)14-23-21-9-5-3-7-18(21)13-19-8-4-6-10-22(19)23/h3-14H,1-2H3,(H,29,30,31)/b20-14+