N-[4-[(3-bromophenyl)amino]-7-[4-(dimethylamino)butoxy]quinazolin-6-yl]prop-2-enamide

Systemtic Name: N-[4-[(3-bromophenyl)amino]-7-[4-(dimethylamino)butoxy]quinazolin-6-yl]prop-2-enamide Openeye Name: N-[4-(3-bromoanilino)-7-[4-(dimethylamino)butoxy]quinazolin-6-yl]prop-2-enamide CAS Name: N-[4-(3-bromoanilino)-7-[4-(dimethylamino)butoxy]-6-quinazolinyl]-2-propenamide IUPAC Name: N-[4-(3-bromoanilino)-7-[4-(dimethylamino)butoxy]quinazolin-6-yl]prop-2-enamide Traditional Name: N-[4-(3-bromoanilino)-7-[4-(dimethylamino)butoxy]quinazolin-6-yl]acrylamide Formula: C23H26BrN5O2 MolecularWeight: 484.38884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=CC=C3)Br)NC(=O)C=C

Isomeric SMILES

CN(C)CCCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=CC=C3)Br)NC(=O)C=C

InChI

InChI=1S/C23H26BrN5O2/c1-4-22(30)28-20-13-18-19(14-21(20)31-11-6-5-10-29(2)3)25-15-26-23(18)27-17-9-7-8-16(24)12-17/h4,7-9,12-15H,1,5-6,10-11H2,2-3H3,(H,28,30)(H,25,26,27)