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

Systemtic Name: 2-[1-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperidin-4-yl]-3H-isoindol-1-one Openeye Name: 2-[1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-4-piperidyl]isoindolin-1-one CAS Name: 2-[1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-piperidinyl]-3H-isoindol-1-one IUPAC Name: 2-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-3H-isoindol-1-one Traditional Name: 2-[1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-4-piperidyl]isoindolin-1-one Formula: C23H25N5O3 MolecularWeight: 419.4763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O3/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)