N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-bromanyl-5-methoxy-benzamide

Systemtic Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-bromanyl-5-methoxy-benzamide Openeye Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-bromo-5-methoxy-benzamide CAS Name: N-[2-(1-azepanyl)-2-(1-methyl-2-pyrrolyl)ethyl]-2-bromo-5-methoxybenzamide IUPAC Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-bromo-5-methoxybenzamide Traditional Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-bromo-5-methoxy-benzamide Formula: C21H28BrN3O2 MolecularWeight: 434.36992

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(CNC(=O)C2=C(C=CC(=C2)OC)Br)N3CCCCCC3

Isomeric SMILES

CN1C=CC=C1C(CNC(=O)C2=C(C=CC(=C2)OC)Br)N3CCCCCC3

InChI

InChI=1S/C21H28BrN3O2/c1-24-11-7-8-19(24)20(25-12-5-3-4-6-13-25)15-23-21(26)17-14-16(27-2)9-10-18(17)22/h7-11,14,20H,3-6,12-13,15H2,1-2H3,(H,23,26)