tert-butyl N-[3-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylamino]-3-oxidanylidene-propyl]carbamate

Systemtic Name: tert-butyl N-[3-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylamino]-3-oxidanylidene-propyl]carbamate Openeye Name: tert-butyl N-[3-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylamino]-3-oxo-propyl]carbamate CAS Name: N-[3-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methylamino]-3-oxopropyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-3-oxopropyl]carbamate Traditional Name: N-[3-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylamino]-3-keto-propyl]carbamic acid tert-butyl ester Formula: C24H27FN4O3 MolecularWeight: 438.494583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC(=O)NCC1=CN(N=C1C2=CC=C(C=C2)F)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NCCC(=O)NCC1=CN(N=C1C2=CC=C(C=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C24H27FN4O3/c1-24(2,3)32-23(31)26-14-13-21(30)27-15-18-16-29(20-7-5-4-6-8-20)28-22(18)17-9-11-19(25)12-10-17/h4-12,16H,13-15H2,1-3H3,(H,26,31)(H,27,30)