tert-butyl N-[4-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylamino]-4-oxidanylidene-butyl]carbamate

Systemtic Name: tert-butyl N-[4-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylamino]-4-oxidanylidene-butyl]carbamate Openeye Name: tert-butyl N-[4-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methylamino]-4-oxo-butyl]carbamate CAS Name: N-[4-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methylamino]-4-oxobutyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-4-oxobutyl]carbamate Traditional Name: N-[4-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methylamino]-4-keto-butyl]carbamic acid tert-butyl ester Formula: C22H32N4O3 MolecularWeight: 400.51448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)CCCNC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)CCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C22H32N4O3/c1-16-19(17(2)26(25-16)15-18-10-7-6-8-11-18)14-24-20(27)12-9-13-23-21(28)29-22(3,4)5/h6-8,10-11H,9,12-15H2,1-5H3,(H,23,28)(H,24,27)