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

Systemtic Name: [1-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperidin-4-yl]-(azepan-1-yl)methanone hydrochloride Openeye Name: [1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-4-piperidyl]-(azepan-1-yl)methanone hydrochloride CAS Name: [1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-piperidinyl]-(1-azepanyl)methanone hydrochloride IUPAC Name: [1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-(azepan-1-yl)methanone hydrochloride Traditional Name: [1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-4-piperidyl]-(azepan-1-yl)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)N3CCC(CC3)C(=O)N4CCCCCC4)N)OC.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC(CC3)C(=O)N4CCCCCC4)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)27-11-7-15(8-12-27)21(28)26-9-5-3-4-6-10-26;/h13-15H,3-12H2,1-2H3,(H2,23,24,25);1H