tert-butyl N-[[3-[azanyl(phenyl)methyl]-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]carbamate

Systemtic Name: tert-butyl N-[[3-[azanyl(phenyl)methyl]-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]carbamate Openeye Name: tert-butyl N-[[3-[amino(phenyl)methyl]-4-(4-pyridyl)-1H-pyrazol-5-yl]methyl]carbamate CAS Name: N-[[3-[amino(phenyl)methyl]-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[3-[amino(phenyl)methyl]-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]carbamate Traditional Name: N-[[3-[amino(phenyl)methyl]-4-(4-pyridyl)-1H-pyrazol-5-yl]methyl]carbamic acid tert-butyl ester Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=C(C(=NN1)C(C2=CC=CC=C2)N)C3=CC=NC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=C(C(=NN1)C(C2=CC=CC=C2)N)C3=CC=NC=C3

InChI

InChI=1S/C21H25N5O2/c1-21(2,3)28-20(27)24-13-16-17(14-9-11-23-12-10-14)19(26-25-16)18(22)15-7-5-4-6-8-15/h4-12,18H,13,22H2,1-3H3,(H,24,27)(H,25,26)