tert-butyl 4-[2-[(4-chlorophenyl)methyl]-1-oxidanylidene-3,4-dihydroisoquinolin-7-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(4-chlorophenyl)methyl]-1-oxidanylidene-3,4-dihydroisoquinolin-7-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[(4-chlorophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-7-yl]piperazine-1-carboxylate CAS Name: 4-[2-[(4-chlorophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-7-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(4-chlorophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-7-yl]piperazine-1-carboxylate Traditional Name: 4-[2-(4-chlorobenzyl)-1-keto-3,4-dihydroisoquinolin-7-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H30ClN3O3 MolecularWeight: 455.977

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(CCN(C3=O)CC4=CC=C(C=C4)Cl)C=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(CCN(C3=O)CC4=CC=C(C=C4)Cl)C=C2

InChI

InChI=1S/C25H30ClN3O3/c1-25(2,3)32-24(31)28-14-12-27(13-15-28)21-9-6-19-10-11-29(23(30)22(19)16-21)17-18-4-7-20(26)8-5-18/h4-9,16H,10-15,17H2,1-3H3