tert-butyl 4-[3-[4-[(3-bromophenyl)amino]-6-nitro-quinazolin-7-yl]oxypropyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[4-[(3-bromophenyl)amino]-6-nitro-quinazolin-7-yl]oxypropyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[4-(3-bromoanilino)-6-nitro-quinazolin-7-yl]oxypropyl]piperazine-1-carboxylate CAS Name: 4-[3-[[4-(3-bromoanilino)-6-nitro-7-quinazolinyl]oxy]propyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[4-(3-bromoanilino)-6-nitroquinazolin-7-yl]oxypropyl]piperazine-1-carboxylate Traditional Name: 4-[3-[4-(3-bromoanilino)-6-nitro-quinazolin-7-yl]oxypropyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C26H31BrN6O5 MolecularWeight: 587.46554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=CC=C4)Br)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=CC=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C26H31BrN6O5/c1-26(2,3)38-25(34)32-11-9-31(10-12-32)8-5-13-37-23-16-21-20(15-22(23)33(35)36)24(29-17-28-21)30-19-7-4-6-18(27)14-19/h4,6-7,14-17H,5,8-13H2,1-3H3,(H,28,29,30)