3-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(2-fluorophenyl)propanamide

Systemtic Name: 3-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(2-fluorophenyl)propanamide Openeye Name: 3-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(2-fluorophenyl)propanamide CAS Name: 3-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(2-fluorophenyl)propanamide IUPAC Name: 3-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(2-fluorophenyl)propanamide Traditional Name: 3-[4-(4-cyanobenzyl)-1,4-diazepan-1-yl]-N-(2-fluorophenyl)propionamide Formula: C22H25FN4O MolecularWeight: 380.458503

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC2=CC=C(C=C2)C#N)CCC(=O)NC3=CC=CC=C3F

Isomeric SMILES

C1CN(CCN(C1)CC2=CC=C(C=C2)C#N)CCC(=O)NC3=CC=CC=C3F

InChI

InChI=1S/C22H25FN4O/c23-20-4-1-2-5-21(20)25-22(28)10-13-26-11-3-12-27(15-14-26)17-19-8-6-18(16-24)7-9-19/h1-2,4-9H,3,10-15,17H2,(H,25,28)