tert-butyl 4-[2-[2-[[(3S)-5-ethoxy-5-oxidanylidene-pent-1-yn-3-yl]amino]-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-7-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[2-[[(3S)-5-ethoxy-5-oxidanylidene-pent-1-yn-3-yl]amino]-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-7-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[2-[[(1S)-1-(2-ethoxy-2-oxo-ethyl)prop-2-ynyl]amino]-2-oxo-ethyl]-1-oxo-7-isoquinolyl]piperazine-1-carboxylate CAS Name: 4-[2-[2-[[(3S)-5-ethoxy-5-oxopent-1-yn-3-yl]amino]-2-oxoethyl]-1-oxo-7-isoquinolinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[2-[[(3S)-5-ethoxy-5-oxopent-1-yn-3-yl]amino]-2-oxoethyl]-1-oxoisoquinolin-7-yl]piperazine-1-carboxylate Traditional Name: 4-[2-[2-[[(1S)-1-(2-ethoxy-2-keto-ethyl)prop-2-ynyl]amino]-2-keto-ethyl]-1-keto-7-isoquinolyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C27H34N4O6 MolecularWeight: 510.58206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C#C)NC(=O)CN1C=CC2=C(C1=O)C=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C[C@@H](C#C)NC(=O)CN1C=CC2=C(C1=O)C=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H34N4O6/c1-6-20(16-24(33)36-7-2)28-23(32)18-31-11-10-19-8-9-21(17-22(19)25(31)34)29-12-14-30(15-13-29)26(35)37-27(3,4)5/h1,8-11,17,20H,7,12-16,18H2,2-5H3,(H,28,32)/t20-/m1/s1