tert-butyl N-[(E)-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methylideneamino]carbamate

Systemtic Name: tert-butyl N-[(E)-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methylideneamino]carbamate Openeye Name: tert-butyl N-[(E)-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methyleneamino]carbamate CAS Name: N-[(E)-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]methylideneamino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(E)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]carbamate Traditional Name: N-[(E)-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methyleneamino]carbamic acid tert-butyl ester Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NN=CC1=CN(N=C1C2=CN=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N/N=C/C1=CN(N=C1C2=CN=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H23N5O2/c1-21(2,3)28-20(27)24-23-13-18-15-26(14-16-8-5-4-6-9-16)25-19(18)17-10-7-11-22-12-17/h4-13,15H,14H2,1-3H3,(H,24,27)/b23-13+