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

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(3,4-dinitrophenyl)piperazine-1-carboxamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(3,4-dinitrophenyl)piperazine-1-carboxamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-(3,4-dinitrophenyl)-1-piperazinecarboxamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(3,4-dinitrophenyl)piperazine-1-carboxamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(3,4-dinitrophenyl)piperazine-1-carboxamide Formula: C21H21N7O7 MolecularWeight: 483.43414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N7O7/c1-34-18-10-14-15(11-19(18)35-2)22-12-23-20(14)25-5-7-26(8-6-25)21(29)24-13-3-4-16(27(30)31)17(9-13)28(32)33/h3-4,9-12H,5-8H2,1-2H3,(H,24,29)