prop-2-ynyl 4-[4-[(5-phenyl-1H-pyrazol-3-yl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate

Systemtic Name: prop-2-ynyl 4-[4-[(5-phenyl-1H-pyrazol-3-yl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Openeye Name: prop-2-ynyl 4-[4-[(5-phenyl-1H-pyrazol-3-yl)carbamoyl]thiazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-[oxo-[(5-phenyl-1H-pyrazol-3-yl)amino]methyl]-2-thiazolyl]-1-piperidinecarboxylic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 4-[4-[(5-phenyl-1H-pyrazol-3-yl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[(5-phenyl-1H-pyrazol-3-yl)carbamoyl]thiazol-2-yl]piperidine-1-carboxylic acid propargyl ester Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)NC3=NNC(=C3)C4=CC=CC=C4

Isomeric SMILES

C#CCOC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)NC3=NNC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5O3S/c1-2-12-30-22(29)27-10-8-16(9-11-27)21-23-18(14-31-21)20(28)24-19-13-17(25-26-19)15-6-4-3-5-7-15/h1,3-7,13-14,16H,8-12H2,(H2,24,25,26,28)