tert-butyl N-[2-[2-(3-chlorophenyl)ethyl]-3-oxidanylidene-1H-pyrazol-5-yl]carbamate

Systemtic Name: tert-butyl N-[2-[2-(3-chlorophenyl)ethyl]-3-oxidanylidene-1H-pyrazol-5-yl]carbamate Openeye Name: tert-butyl N-[2-[2-(3-chlorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]carbamate CAS Name: N-[2-[2-(3-chlorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[2-(3-chlorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]carbamate Traditional Name: N-[1-[2-(3-chlorophenyl)ethyl]-5-keto-3-pyrazolin-3-yl]carbamic acid tert-butyl ester Formula: C16H20ClN3O3 MolecularWeight: 337.8013

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC(=O)N(N1)CCC2=CC(=CC=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC(=O)N(N1)CCC2=CC(=CC=C2)Cl

InChI

InChI=1S/C16H20ClN3O3/c1-16(2,3)23-15(22)18-13-10-14(21)20(19-13)8-7-11-5-4-6-12(17)9-11/h4-6,9-10,19H,7-8H2,1-3H3,(H,18,22)