methyl 4-[3-[2-[(3-bromophenyl)amino]-7-methoxy-quinazolin-6-yl]oxypropyl]-1-methyl-piperazine-2-carboxylate

Systemtic Name: methyl 4-[3-[2-[(3-bromophenyl)amino]-7-methoxy-quinazolin-6-yl]oxypropyl]-1-methyl-piperazine-2-carboxylate Openeye Name: methyl 4-[3-[2-(3-bromoanilino)-7-methoxy-quinazolin-6-yl]oxypropyl]-1-methyl-piperazine-2-carboxylate CAS Name: 4-[3-[[2-(3-bromoanilino)-7-methoxy-6-quinazolinyl]oxy]propyl]-1-methyl-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[3-[2-(3-bromoanilino)-7-methoxyquinazolin-6-yl]oxypropyl]-1-methylpiperazine-2-carboxylate Traditional Name: 4-[3-[2-(3-bromoanilino)-7-methoxy-quinazolin-6-yl]oxypropyl]-1-methyl-piperazine-2-carboxylic acid methyl ester Formula: C25H30BrN5O4 MolecularWeight: 544.4408

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1C(=O)OC)CCCOC2=C(C=C3C(=C2)C=NC(=N3)NC4=CC(=CC=C4)Br)OC

Isomeric SMILES

CN1CCN(CC1C(=O)OC)CCCOC2=C(C=C3C(=C2)C=NC(=N3)NC4=CC(=CC=C4)Br)OC

InChI

InChI=1S/C25H30BrN5O4/c1-30-9-10-31(16-21(30)24(32)34-3)8-5-11-35-23-12-17-15-27-25(29-20(17)14-22(23)33-2)28-19-7-4-6-18(26)13-19/h4,6-7,12-15,21H,5,8-11,16H2,1-3H3,(H,27,28,29)