azepan-1-yl-(6-chloranyl-2-pyridin-4-yl-quinolin-4-yl)methanone

Systemtic Name: azepan-1-yl-(6-chloranyl-2-pyridin-4-yl-quinolin-4-yl)methanone Openeye Name: azepan-1-yl-[6-chloro-2-(4-pyridyl)-4-quinolyl]methanone CAS Name: 1-azepanyl-(6-chloro-2-pyridin-4-yl-4-quinolinyl)methanone IUPAC Name: azepan-1-yl-(6-chloro-2-pyridin-4-ylquinolin-4-yl)methanone Traditional Name: azepan-1-yl-[6-chloro-2-(4-pyridyl)-4-quinolyl]methanone Formula: C21H20ClN3O MolecularWeight: 365.856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O/c22-16-5-6-19-17(13-16)18(21(26)25-11-3-1-2-4-12-25)14-20(24-19)15-7-9-23-10-8-15/h5-10,13-14H,1-4,11-12H2