ethanedioic acid; ethyl N-[1-(6,7-dimethoxyphthalazin-1-yl)piperidin-4-yl]-N-methyl-carbamate

Systemtic Name: ethanedioic acid; ethyl N-[1-(6,7-dimethoxyphthalazin-1-yl)piperidin-4-yl]-N-methyl-carbamate Openeye Name: ethyl N-[1-(6,7-dimethoxyphthalazin-1-yl)-4-piperidyl]-N-methyl-carbamate; oxalic acid CAS Name: N-[1-(6,7-dimethoxy-1-phthalazinyl)-4-piperidinyl]-N-methylcarbamic acid ethyl ester; oxalic acid IUPAC Name: ethyl N-[1-(6,7-dimethoxyphthalazin-1-yl)piperidin-4-yl]-N-methylcarbamate; oxalic acid Traditional Name: N-[1-(6,7-dimethoxyphthalazin-1-yl)-4-piperidyl]-N-methyl-carbamic acid ethyl ester; oxalic acid Formula: C21H28N4O8 MolecularWeight: 464.46902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N(C)C1CCN(CC1)C2=NN=CC3=CC(=C(C=C32)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)N(C)C1CCN(CC1)C2=NN=CC3=CC(=C(C=C32)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H26N4O4.C2H2O4/c1-5-27-19(24)22(2)14-6-8-23(9-7-14)18-15-11-17(26-4)16(25-3)10-13(15)12-20-21-18;3-1(4)2(5)6/h10-12,14H,5-9H2,1-4H3;(H,3,4)(H,5,6)