ethyl 4-[2-[[1-oxidanylidene-2-(phenylmethyl)-3,4-dihydroisoquinolin-5-yl]oxy]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[[1-oxidanylidene-2-(phenylmethyl)-3,4-dihydroisoquinolin-5-yl]oxy]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(2-benzyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[[1-oxo-2-(phenylmethyl)-3,4-dihydroisoquinolin-5-yl]oxy]ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(2-benzyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(2-benzyl-1-keto-3,4-dihydroisoquinolin-5-yl)oxy]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H29N3O5 MolecularWeight: 451.51486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)COC2=CC=CC3=C2CCN(C3=O)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)COC2=CC=CC3=C2CCN(C3=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O5/c1-2-32-25(31)27-15-13-26(14-16-27)23(29)18-33-22-10-6-9-21-20(22)11-12-28(24(21)30)17-19-7-4-3-5-8-19/h3-10H,2,11-18H2,1H3