N-(2-chloranyl-4-nitro-phenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide CAS Name: N-(2-chloro-4-nitrophenyl)-4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinecarboxamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide Formula: C21H21ClN6O5 MolecularWeight: 472.88164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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