(E)-N-[4-[(3-bromophenyl)amino]-7-methoxy-quinazolin-6-yl]-4-piperidin-1-yl-but-2-enamide

Systemtic Name: (E)-N-[4-[(3-bromophenyl)amino]-7-methoxy-quinazolin-6-yl]-4-piperidin-1-yl-but-2-enamide Openeye Name: (E)-N-[4-(3-bromoanilino)-7-methoxy-quinazolin-6-yl]-4-(1-piperidyl)but-2-enamide CAS Name: (E)-N-[4-(3-bromoanilino)-7-methoxy-6-quinazolinyl]-4-(1-piperidinyl)-2-butenamide IUPAC Name: (E)-N-[4-(3-bromoanilino)-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide Traditional Name: (E)-N-[4-(3-bromoanilino)-7-methoxy-quinazolin-6-yl]-4-piperidino-but-2-enamide Formula: C24H26BrN5O2 MolecularWeight: 496.39954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=CC=C3)Br)NC(=O)C=CCN4CCCCC4

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=CC=C3)Br)NC(=O)/C=C/CN4CCCCC4

InChI

InChI=1S/C24H26BrN5O2/c1-32-22-15-20-19(24(27-16-26-20)28-18-8-5-7-17(25)13-18)14-21(22)29-23(31)9-6-12-30-10-3-2-4-11-30/h5-9,13-16H,2-4,10-12H2,1H3,(H,29,31)(H,26,27,28)/b9-6+