N-[4-(azepan-1-ylcarbonyl)phenyl]-5-bromanyl-2-ethoxy-benzamide

Systemtic Name: N-[4-(azepan-1-ylcarbonyl)phenyl]-5-bromanyl-2-ethoxy-benzamide Openeye Name: N-[4-(azepane-1-carbonyl)phenyl]-5-bromo-2-ethoxy-benzamide CAS Name: N-[4-[1-azepanyl(oxo)methyl]phenyl]-5-bromo-2-ethoxybenzamide IUPAC Name: N-[4-(azepane-1-carbonyl)phenyl]-5-bromo-2-ethoxybenzamide Traditional Name: N-[4-(azepane-1-carbonyl)phenyl]-5-bromo-2-ethoxy-benzamide Formula: C22H25BrN2O3 MolecularWeight: 445.3495

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(=O)NC2=CC=C(C=C2)C(=O)N3CCCCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(=O)NC2=CC=C(C=C2)C(=O)N3CCCCCC3

InChI

InChI=1S/C22H25BrN2O3/c1-2-28-20-12-9-17(23)15-19(20)21(26)24-18-10-7-16(8-11-18)22(27)25-13-5-3-4-6-14-25/h7-12,15H,2-6,13-14H2,1H3,(H,24,26)