[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-(4-nitrophenyl)methanone

Systemtic Name: [4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-(4-nitrophenyl)methanone Openeye Name: [4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-(4-nitrophenyl)methanone CAS Name: [4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinyl]-(4-nitrophenyl)methanone IUPAC Name: [4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-(4-nitrophenyl)methanone Traditional Name: [4-(6,7-dimethoxyquinazolin-4-yl)piperazino]-(4-nitrophenyl)methanone Formula: C21H21N5O5 MolecularWeight: 423.42194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O5/c1-30-18-11-16-17(12-19(18)31-2)22-13-23-20(16)24-7-9-25(10-8-24)21(27)14-3-5-15(6-4-14)26(28)29/h3-6,11-13H,7-10H2,1-2H3