tert-butyl N-[[4-[(6-pyrazol-1-ylpyridin-3-yl)carbamoyl]phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-[(6-pyrazol-1-ylpyridin-3-yl)carbamoyl]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[(6-pyrazol-1-yl-3-pyridyl)carbamoyl]phenyl]methyl]carbamate CAS Name: N-[[4-[oxo-[[6-(1-pyrazolyl)-3-pyridinyl]amino]methyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[(6-pyrazol-1-ylpyridin-3-yl)carbamoyl]phenyl]methyl]carbamate Traditional Name: N-[4-[(6-pyrazol-1-yl-3-pyridyl)carbamoyl]benzyl]carbamic acid tert-butyl ester Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NC2=CN=C(C=C2)N3C=CC=N3

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NC2=CN=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C21H23N5O3/c1-21(2,3)29-20(28)23-13-15-5-7-16(8-6-15)19(27)25-17-9-10-18(22-14-17)26-12-4-11-24-26/h4-12,14H,13H2,1-3H3,(H,23,28)(H,25,27)