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

Systemtic Name: [4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-cycloheptyl-methanone hydrochloride Openeye Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-cycloheptyl-methanone hydrochloride CAS Name: [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-cycloheptylmethanone hydrochloride IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-cycloheptylmethanone hydrochloride Traditional Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-cycloheptyl-methanone hydrochloride Formula: C22H32ClN5O3 MolecularWeight: 449.97418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4CCCCCC4)N)OC.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4CCCCCC4)N)OC.Cl

InChI

InChI=1S/C22H31N5O3.ClH/c1-29-18-13-16-17(14-19(18)30-2)24-22(25-20(16)23)27-11-9-26(10-12-27)21(28)15-7-5-3-4-6-8-15;/h13-15H,3-12H2,1-2H3,(H2,23,24,25);1H