ethyl 4-[1-oxidanylidene-5-(2-phenylpropanoylamino)isoquinolin-2-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[1-oxidanylidene-5-(2-phenylpropanoylamino)isoquinolin-2-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[1-oxo-5-(2-phenylpropanoylamino)-2-isoquinolyl]piperidine-1-carboxylate CAS Name: 4-[1-oxo-5-[(1-oxo-2-phenylpropyl)amino]-2-isoquinolinyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-oxo-5-(2-phenylpropanoylamino)isoquinolin-2-yl]piperidine-1-carboxylate Traditional Name: 4-[5-(hydratropoylamino)-1-keto-2-isoquinolyl]piperidine-1-carboxylic acid ethyl ester Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O4/c1-3-33-26(32)28-15-12-20(13-16-28)29-17-14-21-22(25(29)31)10-7-11-23(21)27-24(30)18(2)19-8-5-4-6-9-19/h4-11,14,17-18,20H,3,12-13,15-16H2,1-2H3,(H,27,30)