1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-2-cyclohexyl-2-phenyl-ethanone hydrate hydrochloride

Systemtic Name: 1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-2-cyclohexyl-2-phenyl-ethanone hydrate hydrochloride Openeye Name: 1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-2-cyclohexyl-2-phenyl-ethanone hydrate hydrochloride CAS Name: 1-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-2-cyclohexyl-2-phenylethanone hydrate hydrochloride IUPAC Name: 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-cyclohexyl-2-phenylethanone hydrate hydrochloride Traditional Name: 1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-2-cyclohexyl-2-phenyl-ethanone hydrate hydrochloride Formula: C28H38ClN5O4 MolecularWeight: 544.08542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C(C4CCCCC4)C5=CC=CC=C5)N)OC.O.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C(C4CCCCC4)C5=CC=CC=C5)N)OC.O.Cl

InChI

InChI=1S/C28H35N5O3.ClH.H2O/c1-35-23-17-21-22(18-24(23)36-2)30-28(31-26(21)29)33-15-13-32(14-16-33)27(34)25(19-9-5-3-6-10-19)20-11-7-4-8-12-20;;/h3,5-6,9-10,17-18,20,25H,4,7-8,11-16H2,1-2H3,(H2,29,30,31);1H;1H2