tert-butyl 4-[8-chloranyl-2-[(3-methoxyphenyl)methyl]-1-oxidanylidene-3,4-dihydroisoquinolin-7-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[8-chloranyl-2-[(3-methoxyphenyl)methyl]-1-oxidanylidene-3,4-dihydroisoquinolin-7-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[8-chloro-2-[(3-methoxyphenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-7-yl]piperazine-1-carboxylate CAS Name: 4-[8-chloro-2-[(3-methoxyphenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-7-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[8-chloro-2-[(3-methoxyphenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-7-yl]piperazine-1-carboxylate Traditional Name: 4-(8-chloro-1-keto-2-m-anisyl-3,4-dihydroisoquinolin-7-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C26H32ClN3O4 MolecularWeight: 486.00298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32ClN3O4/c1-26(2,3)34-25(32)29-14-12-28(13-15-29)21-9-8-19-10-11-30(24(31)22(19)23(21)27)17-18-6-5-7-20(16-18)33-4/h5-9,16H,10-15,17H2,1-4H3