(3-bromanyl-4-methoxy-phenyl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone

Systemtic Name: (3-bromanyl-4-methoxy-phenyl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Openeye Name: (3-bromo-4-methoxy-phenyl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone CAS Name: (3-bromo-4-methoxyphenyl)-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]methanone IUPAC Name: (3-bromo-4-methoxyphenyl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Traditional Name: (3-bromo-4-methoxy-phenyl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Formula: C19H23BrN2O2 MolecularWeight: 391.30212

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CN1C=CC=C1C2CCCCCN2C(=O)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C19H23BrN2O2/c1-21-11-6-8-16(21)17-7-4-3-5-12-22(17)19(23)14-9-10-18(24-2)15(20)13-14/h6,8-11,13,17H,3-5,7,12H2,1-2H3