6,7-dimethoxy-4-(pyridin-4-ylmethyl)-2H-phthalazin-1-one

Systemtic Name: 6,7-dimethoxy-4-(pyridin-4-ylmethyl)-2H-phthalazin-1-one Openeye Name: 6,7-dimethoxy-4-(4-pyridylmethyl)-2H-phthalazin-1-one CAS Name: 6,7-dimethoxy-4-(pyridin-4-ylmethyl)-2H-phthalazin-1-one IUPAC Name: 6,7-dimethoxy-4-(pyridin-4-ylmethyl)-2H-phthalazin-1-one Traditional Name: 6,7-dimethoxy-4-(4-pyridylmethyl)-2H-phthalazin-1-one Formula: C16H15N3O3 MolecularWeight: 297.3086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NNC2=O)CC3=CC=NC=C3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NNC2=O)CC3=CC=NC=C3)OC

InChI

InChI=1S/C16H15N3O3/c1-21-14-8-11-12(9-15(14)22-2)16(20)19-18-13(11)7-10-3-5-17-6-4-10/h3-6,8-9H,7H2,1-2H3,(H,19,20)