2-[1-(4-azanyl-6,7,8-trimethoxy-quinazolin-2-yl)piperidin-4-yl]-3H-isoindol-1-one hydrochloride

Systemtic Name: 2-[1-(4-azanyl-6,7,8-trimethoxy-quinazolin-2-yl)piperidin-4-yl]-3H-isoindol-1-one hydrochloride Openeye Name: 2-[1-(4-amino-6,7,8-trimethoxy-quinazolin-2-yl)-4-piperidyl]isoindolin-1-one hydrochloride CAS Name: 2-[1-(4-amino-6,7,8-trimethoxy-2-quinazolinyl)-4-piperidinyl]-3H-isoindol-1-one hydrochloride IUPAC Name: 2-[1-(4-amino-6,7,8-trimethoxyquinazolin-2-yl)piperidin-4-yl]-3H-isoindol-1-one hydrochloride Traditional Name: 2-[1-(4-amino-6,7,8-trimethoxy-quinazolin-2-yl)-4-piperidyl]isoindolin-1-one hydrochloride Formula: C24H28ClN5O4 MolecularWeight: 485.96322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)C(=NC(=N2)N3CCC(CC3)N4CC5=CC=CC=C5C4=O)N)OC)OC.Cl

Isomeric SMILES

COC1=C(C(=C2C(=C1)C(=NC(=N2)N3CCC(CC3)N4CC5=CC=CC=C5C4=O)N)OC)OC.Cl

InChI

InChI=1S/C24H27N5O4.ClH/c1-31-18-12-17-19(21(33-3)20(18)32-2)26-24(27-22(17)25)28-10-8-15(9-11-28)29-13-14-6-4-5-7-16(14)23(29)30;/h4-7,12,15H,8-11,13H2,1-3H3,(H2,25,26,27);1H