tert-butyl N-[(E)-[3-(4-fluorophenyl)carbonyl-2-methyl-indolizin-1-yl]methylideneamino]carbamate

Systemtic Name: tert-butyl N-[(E)-[3-(4-fluorophenyl)carbonyl-2-methyl-indolizin-1-yl]methylideneamino]carbamate Openeye Name: tert-butyl N-[(E)-[3-(4-fluorobenzoyl)-2-methyl-indolizin-1-yl]methyleneamino]carbamate CAS Name: N-[(E)-[3-[(4-fluorophenyl)-oxomethyl]-2-methyl-1-indolizinyl]methylideneamino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(E)-[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]carbamate Traditional Name: N-[(E)-[3-(4-fluorobenzoyl)-2-methyl-indolizin-1-yl]methyleneamino]carbamic acid tert-butyl ester Formula: C22H22FN3O3 MolecularWeight: 395.426783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C=CC=CC2=C1C=NNC(=O)OC(C)(C)C)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(N2C=CC=CC2=C1/C=N/NC(=O)OC(C)(C)C)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H22FN3O3/c1-14-17(13-24-25-21(28)29-22(2,3)4)18-7-5-6-12-26(18)19(14)20(27)15-8-10-16(23)11-9-15/h5-13H,1-4H3,(H,25,28)/b24-13+