N-[(2S)-butan-2-yl]-4-[5-[(3-fluorophenyl)carbamoylamino]pyrazol-1-yl]piperidine-1-carboxamide

Systemtic Name: N-[(2S)-butan-2-yl]-4-[5-[(3-fluorophenyl)carbamoylamino]pyrazol-1-yl]piperidine-1-carboxamide Openeye Name: 4-[5-[(3-fluorophenyl)carbamoylamino]pyrazol-1-yl]-N-[(1S)-1-methylpropyl]piperidine-1-carboxamide CAS Name: N-[(2S)-butan-2-yl]-4-[5-[[(3-fluoroanilino)-oxomethyl]amino]-1-pyrazolyl]-1-piperidinecarboxamide IUPAC Name: N-[(2S)-butan-2-yl]-4-[5-[(3-fluorophenyl)carbamoylamino]pyrazol-1-yl]piperidine-1-carboxamide Traditional Name: 4-[5-[(3-fluorophenyl)carbamoylamino]pyrazol-1-yl]-N-[(1S)-1-methylpropyl]piperidine-1-carboxamide Formula: C20H27FN6O2 MolecularWeight: 402.465783

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)N1CCC(CC1)N2C(=CC=N2)NC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CC[C@H](C)NC(=O)N1CCC(CC1)N2C(=CC=N2)NC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C20H27FN6O2/c1-3-14(2)23-20(29)26-11-8-17(9-12-26)27-18(7-10-22-27)25-19(28)24-16-6-4-5-15(21)13-16/h4-7,10,13-14,17H,3,8-9,11-12H2,1-2H3,(H,23,29)(H2,24,25,28)/t14-/m0/s1