ethyl N-[2-[(3-chloranyl-4-methyl-phenyl)methyl]-3-oxidanylidene-4-(phenylmethyl)-1H-pyrazol-5-yl]carbamate

Systemtic Name: ethyl N-[2-[(3-chloranyl-4-methyl-phenyl)methyl]-3-oxidanylidene-4-(phenylmethyl)-1H-pyrazol-5-yl]carbamate Openeye Name: ethyl N-[4-benzyl-2-[(3-chloro-4-methyl-phenyl)methyl]-3-oxo-1H-pyrazol-5-yl]carbamate CAS Name: N-[2-[(3-chloro-4-methylphenyl)methyl]-3-oxo-4-(phenylmethyl)-1H-pyrazol-5-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-benzyl-2-[(3-chloro-4-methylphenyl)methyl]-3-oxo-1H-pyrazol-5-yl]carbamate Traditional Name: N-[4-benzyl-1-(3-chloro-4-methyl-benzyl)-5-keto-3-pyrazolin-3-yl]carbamic acid ethyl ester Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=C(C(=O)N(N1)CC2=CC(=C(C=C2)C)Cl)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)NC1=C(C(=O)N(N1)CC2=CC(=C(C=C2)C)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C21H22ClN3O3/c1-3-28-21(27)23-19-17(11-15-7-5-4-6-8-15)20(26)25(24-19)13-16-10-9-14(2)18(22)12-16/h4-10,12,24H,3,11,13H2,1-2H3,(H,23,27)