tert-butyl N-(3-oxidanylidene-2-phenethyl-1H-pyrazol-5-yl)carbamate

Systemtic Name: tert-butyl N-(3-oxidanylidene-2-phenethyl-1H-pyrazol-5-yl)carbamate Openeye Name: tert-butyl N-(3-oxo-2-phenethyl-1H-pyrazol-5-yl)carbamate CAS Name: N-(3-oxo-2-phenethyl-1H-pyrazol-5-yl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(3-oxo-2-phenethyl-1H-pyrazol-5-yl)carbamate Traditional Name: N-(5-keto-1-phenethyl-3-pyrazolin-3-yl)carbamic acid tert-butyl ester Formula: C16H21N3O3 MolecularWeight: 303.35624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O3/c1-16(2,3)22-15(21)17-13-11-14(20)19(18-13)10-9-12-7-5-4-6-8-12/h4-8,11,18H,9-10H2,1-3H3,(H,17,21)