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

Systemtic Name: tert-butyl 4-[3-[4-[(3-bromophenyl)amino]-6-nitro-quinazolin-7-yl]oxypropyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-[4-(3-bromoanilino)-6-nitro-quinazolin-7-yl]oxypropyl]piperidine-1-carboxylate CAS Name: 4-[3-[[4-(3-bromoanilino)-6-nitro-7-quinazolinyl]oxy]propyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[4-(3-bromoanilino)-6-nitroquinazolin-7-yl]oxypropyl]piperidine-1-carboxylate Traditional Name: 4-[3-[4-(3-bromoanilino)-6-nitro-quinazolin-7-yl]oxypropyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H32BrN5O5 MolecularWeight: 586.47748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CCCOC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=CC=C4)Br)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCCOC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=CC=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C27H32BrN5O5/c1-27(2,3)38-26(34)32-11-9-18(10-12-32)6-5-13-37-24-16-22-21(15-23(24)33(35)36)25(30-17-29-22)31-20-8-4-7-19(28)14-20/h4,7-8,14-18H,5-6,9-13H2,1-3H3,(H,29,30,31)