methyl N-[3-(4-tert-butylphenyl)-1-oxidanylidene-isoquinolin-2-yl]carbamate

Systemtic Name: methyl N-[3-(4-tert-butylphenyl)-1-oxidanylidene-isoquinolin-2-yl]carbamate Openeye Name: methyl N-[3-(4-tert-butylphenyl)-1-oxo-2-isoquinolyl]carbamate CAS Name: N-[3-(4-tert-butylphenyl)-1-oxo-2-isoquinolinyl]carbamic acid methyl ester IUPAC Name: methyl N-[3-(4-tert-butylphenyl)-1-oxoisoquinolin-2-yl]carbamate Traditional Name: N-[3-(4-tert-butylphenyl)-1-keto-2-isoquinolyl]carbamic acid methyl ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=O)N2NC(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=O)N2NC(=O)OC

InChI

InChI=1S/C21H22N2O3/c1-21(2,3)16-11-9-14(10-12-16)18-13-15-7-5-6-8-17(15)19(24)23(18)22-20(25)26-4/h5-13H,1-4H3,(H,22,25)