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

Systemtic Name: N-[4-(4-chloranylbutyl)-1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazolidin-4-yl]carbamate Openeye Name: N-[4-(4-chlorobutyl)-1,5-dimethyl-3-oxo-2-phenyl-pyrazolidin-4-yl]carbamate CAS Name: N-[4-(4-chlorobutyl)-1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolidinyl]carbamate IUPAC Name: N-[4-(4-chlorobutyl)-1,5-dimethyl-3-oxo-2-phenylpyrazolidin-4-yl]carbamate Traditional Name: N-[4-(4-chlorobutyl)-3-keto-1,5-dimethyl-2-phenyl-pyrazolidin-4-yl]carbamate Formula: C16H21ClN3O3- MolecularWeight: 338.80924

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)N(N1C)C2=CC=CC=C2)(CCCCCl)NC(=O)[O-]

Isomeric SMILES

CC1C(C(=O)N(N1C)C2=CC=CC=C2)(CCCCCl)NC(=O)[O-]

InChI

InChI=1S/C16H22ClN3O3/c1-12-16(18-15(22)23,10-6-7-11-17)14(21)20(19(12)2)13-8-4-3-5-9-13/h3-5,8-9,12,18H,6-7,10-11H2,1-2H3,(H,22,23)/p-1