1-(azepan-1-yl)-2-[4-[(3-chloranyl-4-methyl-quinolin-2-yl)methyl]piperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-[(3-chloranyl-4-methyl-quinolin-2-yl)methyl]piperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-[(3-chloro-4-methyl-2-quinolyl)methyl]piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[(3-chloro-4-methyl-2-quinolinyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-[(3-chloro-4-methylquinolin-2-yl)methyl]piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-[(3-chloro-4-methyl-2-quinolyl)methyl]piperazino]ethanone Formula: C23H31ClN4O MolecularWeight: 414.97144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CN3CCN(CC3)CC(=O)N4CCCCCC4)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CN3CCN(CC3)CC(=O)N4CCCCCC4)Cl

InChI

InChI=1S/C23H31ClN4O/c1-18-19-8-4-5-9-20(19)25-21(23(18)24)16-26-12-14-27(15-13-26)17-22(29)28-10-6-2-3-7-11-28/h4-5,8-9H,2-3,6-7,10-17H2,1H3