2-[4-[(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl]piperazin-1-yl]phenol

Systemtic Name: 2-[4-[(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl]piperazin-1-yl]phenol Openeye Name: 2-[4-[(2-chloro-7,8-dimethyl-3-quinolyl)methyl]piperazin-1-yl]phenol CAS Name: 2-[4-[(2-chloro-7,8-dimethyl-3-quinolinyl)methyl]-1-piperazinyl]phenol IUPAC Name: 2-[4-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]piperazin-1-yl]phenol Traditional Name: 2-[4-[(2-chloro-7,8-dimethyl-3-quinolyl)methyl]piperazino]phenol Formula: C22H24ClN3O MolecularWeight: 381.89846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)CN3CCN(CC3)C4=CC=CC=C4O)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)CN3CCN(CC3)C4=CC=CC=C4O)Cl)C

InChI

InChI=1S/C22H24ClN3O/c1-15-7-8-17-13-18(22(23)24-21(17)16(15)2)14-25-9-11-26(12-10-25)19-5-3-4-6-20(19)27/h3-8,13,27H,9-12,14H2,1-2H3