4-[(7-chloranylquinolin-4-yl)amino]-2-(diethylaminomethyl)-6-(phenylmethyl)phenol

Systemtic Name: 4-[(7-chloranylquinolin-4-yl)amino]-2-(diethylaminomethyl)-6-(phenylmethyl)phenol Openeye Name: 2-benzyl-4-[(7-chloro-4-quinolyl)amino]-6-(diethylaminomethyl)phenol CAS Name: 4-[(7-chloro-4-quinolinyl)amino]-2-(diethylaminomethyl)-6-(phenylmethyl)phenol IUPAC Name: 2-benzyl-4-[(7-chloroquinolin-4-yl)amino]-6-(diethylaminomethyl)phenol Traditional Name: 2-benzyl-4-[(7-chloro-4-quinolyl)amino]-6-(diethylaminomethyl)phenol Formula: C27H28ClN3O MolecularWeight: 445.98372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C(=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)CC4=CC=CC=C4)O

Isomeric SMILES

CCN(CC)CC1=C(C(=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)CC4=CC=CC=C4)O

InChI

InChI=1S/C27H28ClN3O/c1-3-31(4-2)18-21-16-23(15-20(27(21)32)14-19-8-6-5-7-9-19)30-25-12-13-29-26-17-22(28)10-11-24(25)26/h5-13,15-17,32H,3-4,14,18H2,1-2H3,(H,29,30)