tert-butyl N-[(E)-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]methylideneamino]carbamate

Systemtic Name: tert-butyl N-[(E)-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]methylideneamino]carbamate Openeye Name: tert-butyl N-[(E)-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)methyleneamino]carbamate CAS Name: N-[(E)-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]methylideneamino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(E)-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]carbamate Traditional Name: N-[(E)-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)methyleneamino]carbamic acid tert-butyl ester Formula: C17H21ClN4O2 MolecularWeight: 348.82724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NNC(=O)OC(C)(C)C)Cl)CC2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1/C=N/NC(=O)OC(C)(C)C)Cl)CC2=CC=CC=C2

InChI

InChI=1S/C17H21ClN4O2/c1-12-14(10-19-20-16(23)24-17(2,3)4)15(18)22(21-12)11-13-8-6-5-7-9-13/h5-10H,11H2,1-4H3,(H,20,23)/b19-10+