N-[4-(azepan-1-yl)phenyl]-2-[[4-(4-bromophenyl)oxan-4-yl]amino]ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[[4-(4-bromophenyl)oxan-4-yl]amino]ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-[[4-(4-bromophenyl)tetrahydropyran-4-yl]amino]acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[[4-(4-bromophenyl)-4-oxanyl]amino]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-[[4-(4-bromophenyl)oxan-4-yl]amino]acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-[[4-(4-bromophenyl)tetrahydropyran-4-yl]amino]acetamide Formula: C25H32BrN3O2 MolecularWeight: 486.44448

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CNC3(CCOCC3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CNC3(CCOCC3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H32BrN3O2/c26-21-7-5-20(6-8-21)25(13-17-31-18-14-25)27-19-24(30)28-22-9-11-23(12-10-22)29-15-3-1-2-4-16-29/h5-12,27H,1-4,13-19H2,(H,28,30)