N1-(4-cyanophenyl)-N4-[(4-fluorophenyl)methyl]-1,4-diazepane-1,4-dicarboxamide

Systemtic Name: N1-(4-cyanophenyl)-N4-[(4-fluorophenyl)methyl]-1,4-diazepane-1,4-dicarboxamide Openeye Name: N1-(4-cyanophenyl)-N4-[(4-fluorophenyl)methyl]-1,4-diazepane-1,4-dicarboxamide CAS Name: N1-(4-cyanophenyl)-N4-[(4-fluorophenyl)methyl]-1,4-diazepane-1,4-dicarboxamide IUPAC Name: 1-N-(4-cyanophenyl)-4-N-[(4-fluorophenyl)methyl]-1,4-diazepane-1,4-dicarboxamide Traditional Name: N-(4-cyanophenyl)-N'-(4-fluorobenzyl)-1,4-diazepane-1,4-dicarboxamide Formula: C21H22FN5O2 MolecularWeight: 395.430083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=C(C=C2)C#N)C(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=C(C=C2)C#N)C(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN5O2/c22-18-6-2-17(3-7-18)15-24-20(28)26-10-1-11-27(13-12-26)21(29)25-19-8-4-16(14-23)5-9-19/h2-9H,1,10-13,15H2,(H,24,28)(H,25,29)