tert-butyl 3-azanyl-5-(phenylmethoxymethyl)pyrazole-1-carboxylate

Systemtic Name: tert-butyl 3-azanyl-5-(phenylmethoxymethyl)pyrazole-1-carboxylate Openeye Name: tert-butyl 3-amino-5-(benzyloxymethyl)pyrazole-1-carboxylate CAS Name: 3-amino-5-(phenylmethoxymethyl)-1-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-amino-5-(phenylmethoxymethyl)pyrazole-1-carboxylate Traditional Name: 3-amino-5-(benzoxymethyl)pyrazole-1-carboxylic acid tert-butyl ester Formula: C16H21N3O3 MolecularWeight: 303.35624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(=CC(=N1)N)COCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=CC(=N1)N)COCC2=CC=CC=C2

InChI

InChI=1S/C16H21N3O3/c1-16(2,3)22-15(20)19-13(9-14(17)18-19)11-21-10-12-7-5-4-6-8-12/h4-9H,10-11H2,1-3H3,(H2,17,18)