ethyl 4-[5-[(4-tert-butylphenyl)carbonylamino]-1-oxidanylidene-isoquinolin-2-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[5-[(4-tert-butylphenyl)carbonylamino]-1-oxidanylidene-isoquinolin-2-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[5-[(4-tert-butylbenzoyl)amino]-1-oxo-2-isoquinolyl]piperidine-1-carboxylate CAS Name: 4-[5-[[(4-tert-butylphenyl)-oxomethyl]amino]-1-oxo-2-isoquinolinyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-[(4-tert-butylbenzoyl)amino]-1-oxoisoquinolin-2-yl]piperidine-1-carboxylate Traditional Name: 4-[5-[(4-tert-butylbenzoyl)amino]-1-keto-2-isoquinolyl]piperidine-1-carboxylic acid ethyl ester Formula: C28H33N3O4 MolecularWeight: 475.57932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2C=CC3=C(C2=O)C=CC=C3NC(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2C=CC3=C(C2=O)C=CC=C3NC(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C28H33N3O4/c1-5-35-27(34)30-16-13-21(14-17-30)31-18-15-22-23(26(31)33)7-6-8-24(22)29-25(32)19-9-11-20(12-10-19)28(2,3)4/h6-12,15,18,21H,5,13-14,16-17H2,1-4H3,(H,29,32)