tert-butyl N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methylideneamino]carbamate

Systemtic Name: tert-butyl N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methylideneamino]carbamate Openeye Name: tert-butyl N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]carbamate CAS Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]methylideneamino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]carbamate Traditional Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]carbamic acid tert-butyl ester Formula: C18H21N5O2 MolecularWeight: 339.39164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NN=CC1=CN(N=C1C2=CC=CC=C2)CCC#N

Isomeric SMILES

CC(C)(C)OC(=O)N/N=C\C1=CN(N=C1C2=CC=CC=C2)CCC#N

InChI

InChI=1S/C18H21N5O2/c1-18(2,3)25-17(24)21-20-12-15-13-23(11-7-10-19)22-16(15)14-8-5-4-6-9-14/h4-6,8-9,12-13H,7,11H2,1-3H3,(H,21,24)/b20-12-