N-[(3-fluoranyl-4-methyl-phenyl)methyl]-4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazine-1-carboxamide

Systemtic Name: N-[(3-fluoranyl-4-methyl-phenyl)methyl]-4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazine-1-carboxamide Openeye Name: N-[(3-fluoro-4-methyl-phenyl)methyl]-4-[2-(4-methylanilino)-2-oxo-ethyl]piperazine-1-carboxamide CAS Name: N-[(3-fluoro-4-methylphenyl)methyl]-4-[2-(4-methylanilino)-2-oxoethyl]-1-piperazinecarboxamide IUPAC Name: N-[(3-fluoro-4-methylphenyl)methyl]-4-[2-(4-methylanilino)-2-oxoethyl]piperazine-1-carboxamide Traditional Name: N-(3-fluoro-4-methyl-benzyl)-4-[2-keto-2-(p-toluidino)ethyl]piperazine-1-carboxamide Formula: C22H27FN4O2 MolecularWeight: 398.473783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C(=O)NCC3=CC(=C(C=C3)C)F

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C(=O)NCC3=CC(=C(C=C3)C)F

InChI

InChI=1S/C22H27FN4O2/c1-16-3-7-19(8-4-16)25-21(28)15-26-9-11-27(12-10-26)22(29)24-14-18-6-5-17(2)20(23)13-18/h3-8,13H,9-12,14-15H2,1-2H3,(H,24,29)(H,25,28)