tert-butyl N-[3-[[1-(2-azanyl-2-oxidanylidene-ethyl)pyrazol-4-yl]carbamoyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[3-[[1-(2-azanyl-2-oxidanylidene-ethyl)pyrazol-4-yl]carbamoyl]phenyl]carbamate Openeye Name: tert-butyl N-[3-[[1-(2-amino-2-oxo-ethyl)pyrazol-4-yl]carbamoyl]phenyl]carbamate CAS Name: N-[3-[[[1-(2-amino-2-oxoethyl)-4-pyrazolyl]amino]-oxomethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]carbamoyl]phenyl]carbamate Traditional Name: N-[3-[[1-(2-amino-2-keto-ethyl)pyrazol-4-yl]carbamoyl]phenyl]carbamic acid tert-butyl ester Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)NC2=CN(N=C2)CC(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)NC2=CN(N=C2)CC(=O)N

InChI

InChI=1S/C17H21N5O4/c1-17(2,3)26-16(25)21-12-6-4-5-11(7-12)15(24)20-13-8-19-22(9-13)10-14(18)23/h4-9H,10H2,1-3H3,(H2,18,23)(H,20,24)(H,21,25)