tert-butyl 2-[4-[4-[(2,4-dichlorophenyl)methylamino]-7-nitro-quinazolin-2-yl]piperazin-1-yl]carbonylpyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[4-[4-[(2,4-dichlorophenyl)methylamino]-7-nitro-quinazolin-2-yl]piperazin-1-yl]carbonylpyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[4-[4-[(2,4-dichlorophenyl)methylamino]-7-nitro-quinazolin-2-yl]piperazine-1-carbonyl]pyrrolidine-1-carboxylate CAS Name: 2-[[4-[4-[(2,4-dichlorophenyl)methylamino]-7-nitro-2-quinazolinyl]-1-piperazinyl]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[4-[(2,4-dichlorophenyl)methylamino]-7-nitroquinazolin-2-yl]piperazine-1-carbonyl]pyrrolidine-1-carboxylate Traditional Name: 2-[4-[4-[(2,4-dichlorobenzyl)amino]-7-nitro-quinazolin-2-yl]piperazine-1-carbonyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C29H33Cl2N7O5 MolecularWeight: 630.52222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)N2CCN(CC2)C3=NC4=C(C=CC(=C4)[N+](=O)[O-])C(=N3)NCC5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C(=O)N2CCN(CC2)C3=NC4=C(C=CC(=C4)[N+](=O)[O-])C(=N3)NCC5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C29H33Cl2N7O5/c1-29(2,3)43-28(40)37-10-4-5-24(37)26(39)35-11-13-36(14-12-35)27-33-23-16-20(38(41)42)8-9-21(23)25(34-27)32-17-18-6-7-19(30)15-22(18)31/h6-9,15-16,24H,4-5,10-14,17H2,1-3H3,(H,32,33,34)