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

Systemtic Name: 5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-2-(1H-isoquinolin-2-yl)-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 5-[[4-(hydroxymethyl)-1-piperidyl]methyl]-2-(1H-isoquinolin-2-yl)-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 5-[[4-(hydroxymethyl)-1-piperidinyl]methyl]-2-(1H-isoquinolin-2-yl)-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-2-(1H-isoquinolin-2-yl)-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-(1H-isoquinolin-2-yl)-6,7-dimethoxy-5-[(4-methylolpiperidino)methyl]-1H-quinazolin-4-one Formula: C26H30N4O4 MolecularWeight: 462.5408

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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)CO)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O4/c1-33-22-13-21-23(20(24(22)34-2)15-29-10-7-17(16-31)8-11-29)25(32)28-26(27-21)30-12-9-18-5-3-4-6-19(18)14-30/h3-6,9,12-13,17,31H,7-8,10-11,14-16H2,1-2H3,(H,27,28,32)