phenyl N-[5-azanyl-1-tert-butyl-3-(4-chlorophenyl)pyrazol-4-yl]carbamate

Systemtic Name: phenyl N-[5-azanyl-1-tert-butyl-3-(4-chlorophenyl)pyrazol-4-yl]carbamate Openeye Name: phenyl N-[5-amino-1-tert-butyl-3-(4-chlorophenyl)pyrazol-4-yl]carbamate CAS Name: N-[5-amino-1-tert-butyl-3-(4-chlorophenyl)-4-pyrazolyl]carbamic acid phenyl ester IUPAC Name: phenyl N-[5-amino-1-tert-butyl-3-(4-chlorophenyl)pyrazol-4-yl]carbamate Traditional Name: N-[5-amino-1-tert-butyl-3-(4-chlorophenyl)pyrazol-4-yl]carbamic acid phenyl ester Formula: C20H21ClN4O2 MolecularWeight: 384.85934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=C(C(=N1)C2=CC=C(C=C2)Cl)NC(=O)OC3=CC=CC=C3)N

Isomeric SMILES

CC(C)(C)N1C(=C(C(=N1)C2=CC=C(C=C2)Cl)NC(=O)OC3=CC=CC=C3)N

InChI

InChI=1S/C20H21ClN4O2/c1-20(2,3)25-18(22)17(16(24-25)13-9-11-14(21)12-10-13)23-19(26)27-15-7-5-4-6-8-15/h4-12H,22H2,1-3H3,(H,23,26)