tert-butyl N-[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]-4-oxidanylidene-butyl]carbamate

Systemtic Name: tert-butyl N-[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]-4-oxidanylidene-butyl]carbamate Openeye Name: tert-butyl N-[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]-4-oxo-butyl]carbamate CAS Name: N-[4-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl-methylamino]-4-oxobutyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-4-oxobutyl]carbamate Traditional Name: N-[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]-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(=NN1C2=CC=CC=C2)C)CN(C)C(=O)CCCNC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)C(=O)CCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C22H32N4O3/c1-16-19(17(2)26(24-16)18-11-8-7-9-12-18)15-25(6)20(27)13-10-14-23-21(28)29-22(3,4)5/h7-9,11-12H,10,13-15H2,1-6H3,(H,23,28)