[2-[[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]amino]-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-[[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]amino]-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-[[2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]amino]-2-oxo-ethyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [2-[[2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [2-keto-2-[[2-(4-methoxyphenyl)-2-piperidino-ethyl]amino]ethyl] ester Formula: C26H30N4O5 MolecularWeight: 478.5402

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NCC(C3=CC=C(C=C3)OC)N4CCCCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NCC(C3=CC=C(C=C3)OC)N4CCCCC4

InChI

InChI=1S/C26H30N4O5/c1-29-25(32)21-9-5-4-8-20(21)24(28-29)26(33)35-17-23(31)27-16-22(30-14-6-3-7-15-30)18-10-12-19(34-2)13-11-18/h4-5,8-13,22H,3,6-7,14-17H2,1-2H3,(H,27,31)