2-(1H-isoquinolin-2-yl)-6,7-dimethoxy-5-[(4-oxidanylpiperidin-1-yl)methyl]-1H-quinazolin-4-one

Systemtic Name: 2-(1H-isoquinolin-2-yl)-6,7-dimethoxy-5-[(4-oxidanylpiperidin-1-yl)methyl]-1H-quinazolin-4-one Openeye Name: 5-[(4-hydroxy-1-piperidyl)methyl]-2-(1H-isoquinolin-2-yl)-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 5-[(4-hydroxy-1-piperidinyl)methyl]-2-(1H-isoquinolin-2-yl)-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 5-[(4-hydroxypiperidin-1-yl)methyl]-2-(1H-isoquinolin-2-yl)-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 5-[(4-hydroxypiperidino)methyl]-2-(1H-isoquinolin-2-yl)-6,7-dimethoxy-1H-quinazolin-4-one Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)NC(=NC2=O)N3CC4=CC=CC=C4C=C3)CN5CCC(CC5)O)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)NC(=NC2=O)N3CC4=CC=CC=C4C=C3)CN5CCC(CC5)O)OC

InChI

InChI=1S/C25H28N4O4/c1-32-21-13-20-22(19(23(21)33-2)15-28-10-8-18(30)9-11-28)24(31)27-25(26-20)29-12-7-16-5-3-4-6-17(16)14-29/h3-7,12-13,18,30H,8-11,14-15H2,1-2H3,(H,26,27,31)