ethyl 4-[[3-(4-methoxyphenyl)-2-methyl-1-oxidanylidene-3,4-dihydroisoquinolin-4-yl]carbonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[3-(4-methoxyphenyl)-2-methyl-1-oxidanylidene-3,4-dihydroisoquinolin-4-yl]carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinolin-4-yl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-keto-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinoline-4-carbonyl]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)C2C(N(C(=O)C3=CC=CC=C23)C)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2C(N(C(=O)C3=CC=CC=C23)C)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H29N3O5/c1-4-33-25(31)28-15-13-27(14-16-28)24(30)21-19-7-5-6-8-20(19)23(29)26(2)22(21)17-9-11-18(32-3)12-10-17/h5-12,21-22H,4,13-16H2,1-3H3