[1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]propan-2-yl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]propan-2-yl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [2-(4-benzyl-1-piperidyl)-1-methyl-2-oxo-ethyl] 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [1-oxo-1-[4-(phenylmethyl)-1-piperidinyl]propan-2-yl] ester IUPAC Name: [1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [2-(4-benzylpiperidino)-2-keto-1-methyl-ethyl] ester Formula: C25H26N2O4 MolecularWeight: 418.48494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)OC(=O)C3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)OC(=O)C3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C25H26N2O4/c1-17(31-25(30)22-16-20-9-5-6-10-21(20)23(28)26-22)24(29)27-13-11-19(12-14-27)15-18-7-3-2-4-8-18/h2-10,16-17,19H,11-15H2,1H3,(H,26,28)