tert-butyl 4-[2-[[2-(2-dimethylaminoethyl)-1-oxidanylidene-isoquinolin-5-yl]amino]-2-oxidanylidene-ethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[[2-(2-dimethylaminoethyl)-1-oxidanylidene-isoquinolin-5-yl]amino]-2-oxidanylidene-ethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-[[2-(2-dimethylaminoethyl)-1-oxo-5-isoquinolyl]amino]-2-oxo-ethyl]piperidine-1-carboxylate CAS Name: 4-[2-[[2-(2-dimethylaminoethyl)-1-oxo-5-isoquinolinyl]amino]-2-oxoethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[[2-(2-dimethylaminoethyl)-1-oxoisoquinolin-5-yl]amino]-2-oxoethyl]piperidine-1-carboxylate Traditional Name: 4-[2-[[2-(2-dimethylaminoethyl)-1-keto-5-isoquinolyl]amino]-2-keto-ethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H36N4O4 MolecularWeight: 456.57774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CC(=O)NC2=CC=CC3=C2C=CN(C3=O)CCN(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CC(=O)NC2=CC=CC3=C2C=CN(C3=O)CCN(C)C

InChI

InChI=1S/C25H36N4O4/c1-25(2,3)33-24(32)29-12-9-18(10-13-29)17-22(30)26-21-8-6-7-20-19(21)11-14-28(23(20)31)16-15-27(4)5/h6-8,11,14,18H,9-10,12-13,15-17H2,1-5H3,(H,26,30)