N-[4-(azepan-1-ylcarbonyl)phenyl]-3-bromanyl-4-ethoxy-benzamide

Systemtic Name: N-[4-(azepan-1-ylcarbonyl)phenyl]-3-bromanyl-4-ethoxy-benzamide Openeye Name: N-[4-(azepane-1-carbonyl)phenyl]-3-bromo-4-ethoxy-benzamide CAS Name: N-[4-[1-azepanyl(oxo)methyl]phenyl]-3-bromo-4-ethoxybenzamide IUPAC Name: N-[4-(azepane-1-carbonyl)phenyl]-3-bromo-4-ethoxybenzamide Traditional Name: N-[4-(azepane-1-carbonyl)phenyl]-3-bromo-4-ethoxy-benzamide Formula: C22H25BrN2O3 MolecularWeight: 445.3495

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN2O3/c1-2-28-20-12-9-17(15-19(20)23)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)