N-(4-chloranyl-3-nitro-phenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide Openeye Name: N-(4-chloro-3-nitro-phenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide CAS Name: N-(4-chloro-3-nitrophenyl)-4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinecarboxamide IUPAC Name: N-(4-chloro-3-nitrophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide Traditional Name: N-(4-chloro-3-nitro-phenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide Formula: C21H21ClN6O5 MolecularWeight: 472.88164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=O)NC4=CC(=C(C=C4)Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=O)NC4=CC(=C(C=C4)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C21H21ClN6O5/c1-32-18-10-14-16(11-19(18)33-2)23-12-24-20(14)26-5-7-27(8-6-26)21(29)25-13-3-4-15(22)17(9-13)28(30)31/h3-4,9-12H,5-8H2,1-2H3,(H,25,29)