4-(6,7-dimethoxyquinazolin-4-yl)-N-(3-nitrophenyl)piperazine-1-carboxamide

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(3-nitrophenyl)piperazine-1-carboxamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(3-nitrophenyl)piperazine-1-carboxamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-(3-nitrophenyl)-1-piperazinecarboxamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(3-nitrophenyl)piperazine-1-carboxamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(3-nitrophenyl)piperazine-1-carboxamide Formula: C21H22N6O5 MolecularWeight: 438.43658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O5/c1-31-18-11-16-17(12-19(18)32-2)22-13-23-20(16)25-6-8-26(9-7-25)21(28)24-14-4-3-5-15(10-14)27(29)30/h3-5,10-13H,6-9H2,1-2H3,(H,24,28)