4-tert-butyl-N-[3-[4-[cyano-(4-fluorophenyl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-[4-[cyano-(4-fluorophenyl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]benzamide Openeye Name: 4-tert-butyl-N-[3-[4-[cyano-(4-fluorophenyl)methyl]piperazin-1-yl]-3-oxo-propyl]benzamide CAS Name: 4-tert-butyl-N-[3-[4-[cyano-(4-fluorophenyl)methyl]-1-piperazinyl]-3-oxopropyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[4-[cyano-(4-fluorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[4-[cyano-(4-fluorophenyl)methyl]piperazino]-3-keto-propyl]benzamide Formula: C26H31FN4O2 MolecularWeight: 450.548343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)N2CCN(CC2)C(C#N)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)N2CCN(CC2)C(C#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C26H31FN4O2/c1-26(2,3)21-8-4-20(5-9-21)25(33)29-13-12-24(32)31-16-14-30(15-17-31)23(18-28)19-6-10-22(27)11-7-19/h4-11,23H,12-17H2,1-3H3,(H,29,33)