tert-butyl N-[4-[5-(benzimidazol-2-ylidene)-1,2-dihydropyrazol-3-yl]phenyl]carbamate

Systemtic Name: tert-butyl N-[4-[5-(benzimidazol-2-ylidene)-1,2-dihydropyrazol-3-yl]phenyl]carbamate Openeye Name: tert-butyl N-[4-[5-(benzimidazol-2-ylidene)-1,2-dihydropyrazol-3-yl]phenyl]carbamate CAS Name: N-[4-[5-(2-benzimidazolylidene)-1,2-dihydropyrazol-3-yl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[5-(benzimidazol-2-ylidene)-1,2-dihydropyrazol-3-yl]phenyl]carbamate Traditional Name: N-[4-[5-(benzimidazol-2-ylidene)-3-pyrazolin-3-yl]phenyl]carbamic acid tert-butyl ester Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=C3N=C4C=CC=CC4=N3)NN2

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=C3N=C4C=CC=CC4=N3)NN2

InChI

InChI=1S/C21H21N5O2/c1-21(2,3)28-20(27)22-14-10-8-13(9-11-14)17-12-18(26-25-17)19-23-15-6-4-5-7-16(15)24-19/h4-12,25-26H,1-3H3,(H,22,27)