(E)-N-[4-[(3-bromophenyl)amino]-7-methoxy-quinazolin-6-yl]-5-piperidin-1-yl-pent-2-enamide

Systemtic Name: (E)-N-[4-[(3-bromophenyl)amino]-7-methoxy-quinazolin-6-yl]-5-piperidin-1-yl-pent-2-enamide Openeye Name: (E)-N-[4-(3-bromoanilino)-7-methoxy-quinazolin-6-yl]-5-(1-piperidyl)pent-2-enamide CAS Name: (E)-N-[4-(3-bromoanilino)-7-methoxy-6-quinazolinyl]-5-(1-piperidinyl)-2-pentenamide IUPAC Name: (E)-N-[4-(3-bromoanilino)-7-methoxyquinazolin-6-yl]-5-piperidin-1-ylpent-2-enamide Traditional Name: (E)-N-[4-(3-bromoanilino)-7-methoxy-quinazolin-6-yl]-5-piperidino-pent-2-enamide Formula: C25H28BrN5O2 MolecularWeight: 510.42612

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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=CCCN4CCCCC4

Isomeric SMILES

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

InChI

InChI=1S/C25H28BrN5O2/c1-33-23-16-21-20(25(28-17-27-21)29-19-9-7-8-18(26)14-19)15-22(23)30-24(32)10-3-6-13-31-11-4-2-5-12-31/h3,7-10,14-17H,2,4-6,11-13H2,1H3,(H,30,32)(H,27,28,29)/b10-3+