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

Systemtic Name: 2-[1-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperidin-4-yl]-3H-isoindol-1-one hydrochloride Openeye Name: 2-[1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-4-piperidyl]isoindolin-1-one hydrochloride CAS Name: 2-[1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-piperidinyl]-3H-isoindol-1-one hydrochloride IUPAC Name: 2-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-3H-isoindol-1-one hydrochloride Traditional Name: 2-[1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-4-piperidyl]isoindolin-1-one hydrochloride Formula: C23H26ClN5O3 MolecularWeight: 455.93724

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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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O3.ClH/c1-30-19-11-17-18(12-20(19)31-2)25-23(26-21(17)24)27-9-7-15(8-10-27)28-13-14-5-3-4-6-16(14)22(28)29;/h3-6,11-12,15H,7-10,13H2,1-2H3,(H2,24,25,26);1H