tert-butyl 4-[4-[(4-aminocarbonylphenyl)methylamino]-6-nitro-quinazolin-7-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(4-aminocarbonylphenyl)methylamino]-6-nitro-quinazolin-7-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(4-carbamoylphenyl)methylamino]-6-nitro-quinazolin-7-yl]piperazine-1-carboxylate CAS Name: 4-[4-[(4-carbamoylphenyl)methylamino]-6-nitro-7-quinazolinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(4-carbamoylphenyl)methylamino]-6-nitroquinazolin-7-yl]piperazine-1-carboxylate Traditional Name: 4-[4-[(4-carbamoylbenzyl)amino]-6-nitro-quinazolin-7-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H29N7O5 MolecularWeight: 507.54166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N=CN=C3NCC4=CC=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N=CN=C3NCC4=CC=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C25H29N7O5/c1-25(2,3)37-24(34)31-10-8-30(9-11-31)20-13-19-18(12-21(20)32(35)36)23(29-15-28-19)27-14-16-4-6-17(7-5-16)22(26)33/h4-7,12-13,15H,8-11,14H2,1-3H3,(H2,26,33)(H,27,28,29)