1-[2-(1-but-2-ynoylpiperidin-4-yl)pyrazol-3-yl]-3-(2-chlorophenyl)urea

Systemtic Name: 1-[2-(1-but-2-ynoylpiperidin-4-yl)pyrazol-3-yl]-3-(2-chlorophenyl)urea Openeye Name: 1-[2-(1-but-2-ynoyl-4-piperidyl)pyrazol-3-yl]-3-(2-chlorophenyl)urea CAS Name: 1-(2-chlorophenyl)-3-[2-[1-(1-oxobut-2-ynyl)-4-piperidinyl]-3-pyrazolyl]urea IUPAC Name: 1-[2-(1-but-2-ynoylpiperidin-4-yl)pyrazol-3-yl]-3-(2-chlorophenyl)urea Traditional Name: 1-[2-(1-but-2-ynoyl-4-piperidyl)pyrazol-3-yl]-3-(2-chlorophenyl)urea Formula: C19H20ClN5O2 MolecularWeight: 385.8474

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)N1CCC(CC1)N2C(=CC=N2)NC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

CC#CC(=O)N1CCC(CC1)N2C(=CC=N2)NC(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C19H20ClN5O2/c1-2-5-18(26)24-12-9-14(10-13-24)25-17(8-11-21-25)23-19(27)22-16-7-4-3-6-15(16)20/h3-4,6-8,11,14H,9-10,12-13H2,1H3,(H2,22,23,27)