4-chloranylbutyl N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamate

Systemtic Name: 4-chloranylbutyl N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamate Openeye Name: 4-chlorobutyl N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamate CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)carbamic acid 4-chlorobutyl ester IUPAC Name: 4-chlorobutyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamate Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)carbamic acid 4-chlorobutyl ester Formula: C16H20ClN3O3 MolecularWeight: 337.8013

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)OCCCCCl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)OCCCCCl

InChI

InChI=1S/C16H20ClN3O3/c1-12-14(18-16(22)23-11-7-6-10-17)15(21)20(19(12)2)13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,18,22)