tert-butyl N-[(1Z)-1-(2-cycloheptyl-2-oxidanylidene-ethylidene)-3,3-dimethyl-2,4-dihydroisoquinolin-6-yl]carbamate

Systemtic Name: tert-butyl N-[(1Z)-1-(2-cycloheptyl-2-oxidanylidene-ethylidene)-3,3-dimethyl-2,4-dihydroisoquinolin-6-yl]carbamate Openeye Name: tert-butyl N-[(1Z)-1-(2-cycloheptyl-2-oxo-ethylidene)-3,3-dimethyl-2,4-dihydroisoquinolin-6-yl]carbamate CAS Name: N-[(1Z)-1-(2-cycloheptyl-2-oxoethylidene)-3,3-dimethyl-2,4-dihydroisoquinolin-6-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(1Z)-1-(2-cycloheptyl-2-oxoethylidene)-3,3-dimethyl-2,4-dihydroisoquinolin-6-yl]carbamate Traditional Name: N-[(1Z)-1-(2-cycloheptyl-2-keto-ethylidene)-3,3-dimethyl-2,4-dihydroisoquinolin-6-yl]carbamic acid tert-butyl ester Formula: C25H36N2O3 MolecularWeight: 412.56494

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=CC(=C2)NC(=O)OC(C)(C)C)C(=CC(=O)C3CCCCCC3)N1)C

Isomeric SMILES

CC1(CC2=C(C=CC(=C2)NC(=O)OC(C)(C)C)/C(=C/C(=O)C3CCCCCC3)/N1)C

InChI

InChI=1S/C25H36N2O3/c1-24(2,3)30-23(29)26-19-12-13-20-18(14-19)16-25(4,5)27-21(20)15-22(28)17-10-8-6-7-9-11-17/h12-15,17,27H,6-11,16H2,1-5H3,(H,26,29)/b21-15-