N-[2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-2-fluoranyl-benzamide

Systemtic Name: N-[2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-2-fluoranyl-benzamide Openeye Name: N-[2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-2-oxo-ethyl]-2-fluoro-benzamide CAS Name: N-[2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-2-fluorobenzamide IUPAC Name: N-[2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-2-fluorobenzamide Traditional Name: N-[2-[4-(4-cyanobenzyl)-1,4-diazepan-1-yl]-2-keto-ethyl]-2-fluoro-benzamide Formula: C22H23FN4O2 MolecularWeight: 394.442023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CNC(=O)C2=CC=CC=C2F)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN(C1)C(=O)CNC(=O)C2=CC=CC=C2F)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H23FN4O2/c23-20-5-2-1-4-19(20)22(29)25-15-21(28)27-11-3-10-26(12-13-27)16-18-8-6-17(14-24)7-9-18/h1-2,4-9H,3,10-13,15-16H2,(H,25,29)