tert-butyl N-[2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]ethyl]carbamate Openeye Name: tert-butyl N-[2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]ethyl]carbamate CAS Name: N-[2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]ethyl]carbamate Traditional Name: N-[2-[3-(4-chlorophenyl)-4-phenyl-2-pyrazolin-1-yl]ethyl]carbamic acid tert-butyl ester Formula: C22H26ClN3O2 MolecularWeight: 399.91374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCN1CC(C(=N1)C2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NCCN1CC(C(=N1)C2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C22H26ClN3O2/c1-22(2,3)28-21(27)24-13-14-26-15-19(16-7-5-4-6-8-16)20(25-26)17-9-11-18(23)12-10-17/h4-12,19H,13-15H2,1-3H3,(H,24,27)