1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-5-(4-nitrophenyl)pentan-1-one hydrochloride

Systemtic Name: 1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-5-(4-nitrophenyl)pentan-1-one hydrochloride Openeye Name: 1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-5-(4-nitrophenyl)pentan-1-one hydrochloride CAS Name: 1-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-5-(4-nitrophenyl)-1-pentanone hydrochloride IUPAC Name: 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-5-(4-nitrophenyl)pentan-1-one hydrochloride Traditional Name: 1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-5-(4-nitrophenyl)pentan-1-one hydrochloride Formula: C25H31ClN6O5 MolecularWeight: 531.00384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)CCCCC4=CC=C(C=C4)[N+](=O)[O-])N)OC.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)CCCCC4=CC=C(C=C4)[N+](=O)[O-])N)OC.Cl

InChI

InChI=1S/C25H30N6O5.ClH/c1-35-21-15-19-20(16-22(21)36-2)27-25(28-24(19)26)30-13-11-29(12-14-30)23(32)6-4-3-5-17-7-9-18(10-8-17)31(33)34;/h7-10,15-16H,3-6,11-14H2,1-2H3,(H2,26,27,28);1H