4-(6,7-dimethoxyquinazolin-4-yl)-N-(2-nitrophenyl)piperazine-1-carboxamide

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(2-nitrophenyl)piperazine-1-carboxamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(2-nitrophenyl)piperazine-1-carboxamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-(2-nitrophenyl)-1-piperazinecarboxamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(2-nitrophenyl)piperazine-1-carboxamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(2-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/c1-31-18-11-14-16(12-19(18)32-2)22-13-23-20(14)25-7-9-26(10-8-25)21(28)24-15-5-3-4-6-17(15)27(29)30/h3-6,11-13H,7-10H2,1-2H3,(H,24,28)