4-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-N-phenyl-benzamide

Systemtic Name: 4-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-N-phenyl-benzamide Openeye Name: 4-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-N-phenyl-benzamide CAS Name: 4-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-N-phenylbenzamide IUPAC Name: 4-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-N-phenylbenzamide Traditional Name: 4-[[4-(4-fluorobenzyl)-1,4-diazepan-1-yl]methyl]-N-phenyl-benzamide Formula: C26H28FN3O MolecularWeight: 417.518423

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC2=CC=C(C=C2)F)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)CC2=CC=C(C=C2)F)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C26H28FN3O/c27-24-13-9-22(10-14-24)20-30-16-4-15-29(17-18-30)19-21-7-11-23(12-8-21)26(31)28-25-5-2-1-3-6-25/h1-3,5-14H,4,15-20H2,(H,28,31)