prop-2-ynyl 4-[4-(1,3-dihydrobenzo[de]isoquinolin-2-ylcarbonyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate

Systemtic Name: prop-2-ynyl 4-[4-(1,3-dihydrobenzo[de]isoquinolin-2-ylcarbonyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate Openeye Name: prop-2-ynyl 4-[4-(1,3-dihydrobenzo[de]isoquinoline-2-carbonyl)thiazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-[1,3-dihydrobenzo[de]isoquinolin-2-yl(oxo)methyl]-2-thiazolyl]-1-piperidinecarboxylic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 4-[4-(1,3-dihydrobenzo[de]isoquinoline-2-carbonyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(1,3-dihydrobenzo[de]isoquinoline-2-carbonyl)thiazol-2-yl]piperidine-1-carboxylic acid propargyl ester Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)N3CC4=CC=CC5=C4C(=CC=C5)C3

Isomeric SMILES

C#CCOC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)N3CC4=CC=CC5=C4C(=CC=C5)C3

InChI

InChI=1S/C25H23N3O3S/c1-2-13-31-25(30)27-11-9-18(10-12-27)23-26-21(16-32-23)24(29)28-14-19-7-3-5-17-6-4-8-20(15-28)22(17)19/h1,3-8,16,18H,9-15H2