azepan-1-yl-[6-bromanyl-2-(4-butylphenyl)quinolin-4-yl]methanone

Systemtic Name: azepan-1-yl-[6-bromanyl-2-(4-butylphenyl)quinolin-4-yl]methanone Openeye Name: azepan-1-yl-[6-bromo-2-(4-butylphenyl)-4-quinolyl]methanone CAS Name: 1-azepanyl-[6-bromo-2-(4-butylphenyl)-4-quinolinyl]methanone IUPAC Name: azepan-1-yl-[6-bromo-2-(4-butylphenyl)quinolin-4-yl]methanone Traditional Name: azepan-1-yl-[6-bromo-2-(4-butylphenyl)-4-quinolyl]methanone Formula: C26H29BrN2O MolecularWeight: 465.42526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCCCCC4

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCCCCC4

InChI

InChI=1S/C26H29BrN2O/c1-2-3-8-19-9-11-20(12-10-19)25-18-23(22-17-21(27)13-14-24(22)28-25)26(30)29-15-6-4-5-7-16-29/h9-14,17-18H,2-8,15-16H2,1H3