[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(4-nitrophenyl)methanone hydrochloride

Systemtic Name: [4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(4-nitrophenyl)methanone hydrochloride Openeye Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(4-nitrophenyl)methanone hydrochloride CAS Name: [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-(4-nitrophenyl)methanone hydrochloride IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(4-nitrophenyl)methanone hydrochloride Traditional Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-(4-nitrophenyl)methanone hydrochloride Formula: C21H23ClN6O5 MolecularWeight: 474.89752

Click to see the large picture

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-])N)OC.Cl

Isomeric SMILES

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

InChI

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