(E)-3-(6,7-dimethyl-4-oxidanylidene-quinazolin-3-yl)-N-(4-imidazol-1-ylbutyl)prop-2-enamide

Systemtic Name: (E)-3-(6,7-dimethyl-4-oxidanylidene-quinazolin-3-yl)-N-(4-imidazol-1-ylbutyl)prop-2-enamide Openeye Name: (E)-3-(6,7-dimethyl-4-oxo-quinazolin-3-yl)-N-(4-imidazol-1-ylbutyl)prop-2-enamide CAS Name: (E)-3-(6,7-dimethyl-4-oxo-3-quinazolinyl)-N-[4-(1-imidazolyl)butyl]-2-propenamide IUPAC Name: (E)-3-(6,7-dimethyl-4-oxoquinazolin-3-yl)-N-(4-imidazol-1-ylbutyl)prop-2-enamide Traditional Name: (E)-N-(4-imidazol-1-ylbutyl)-3-(4-keto-6,7-dimethyl-quinazolin-3-yl)acrylamide Formula: C20H23N5O2 MolecularWeight: 365.42892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=O)N(C=N2)C=CC(=O)NCCCCN3C=CN=C3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=O)N(C=N2)/C=C/C(=O)NCCCCN3C=CN=C3)C

InChI

InChI=1S/C20H23N5O2/c1-15-11-17-18(12-16(15)2)23-14-25(20(17)27)9-5-19(26)22-6-3-4-8-24-10-7-21-13-24/h5,7,9-14H,3-4,6,8H2,1-2H3,(H,22,26)/b9-5+