tert-butyl N-(5-chloranyl-1-phenyl-pyrazol-4-yl)-N-[(3-cyanophenyl)methyl]carbamate

Systemtic Name: tert-butyl N-(5-chloranyl-1-phenyl-pyrazol-4-yl)-N-[(3-cyanophenyl)methyl]carbamate Openeye Name: tert-butyl N-(5-chloro-1-phenyl-pyrazol-4-yl)-N-[(3-cyanophenyl)methyl]carbamate CAS Name: N-(5-chloro-1-phenyl-4-pyrazolyl)-N-[(3-cyanophenyl)methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(5-chloro-1-phenylpyrazol-4-yl)-N-[(3-cyanophenyl)methyl]carbamate Traditional Name: N-(5-chloro-1-phenyl-pyrazol-4-yl)-N-(3-cyanobenzyl)carbamic acid tert-butyl ester Formula: C22H21ClN4O2 MolecularWeight: 408.88074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC1=CC=CC(=C1)C#N)C2=C(N(N=C2)C3=CC=CC=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N(CC1=CC=CC(=C1)C#N)C2=C(N(N=C2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C22H21ClN4O2/c1-22(2,3)29-21(28)26(15-17-9-7-8-16(12-17)13-24)19-14-25-27(20(19)23)18-10-5-4-6-11-18/h4-12,14H,15H2,1-3H3