azepan-1-yl-(6-bromanyl-2-phenyl-quinolin-4-yl)methanone

Systemtic Name: azepan-1-yl-(6-bromanyl-2-phenyl-quinolin-4-yl)methanone Openeye Name: azepan-1-yl-(6-bromo-2-phenyl-4-quinolyl)methanone CAS Name: 1-azepanyl-(6-bromo-2-phenyl-4-quinolinyl)methanone IUPAC Name: azepan-1-yl-(6-bromo-2-phenylquinolin-4-yl)methanone Traditional Name: azepan-1-yl-(6-bromo-2-phenyl-4-quinolyl)methanone Formula: C22H21BrN2O MolecularWeight: 409.31894

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C22H21BrN2O/c23-17-10-11-20-18(14-17)19(22(26)25-12-6-1-2-7-13-25)15-21(24-20)16-8-4-3-5-9-16/h3-5,8-11,14-15H,1-2,6-7,12-13H2