4-[(7-chloranylquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol hydrate hydrochloride

Systemtic Name: 4-[(7-chloranylquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol hydrate hydrochloride Openeye Name: 4-[(7-chloro-4-quinolyl)amino]-2-(diethylaminomethyl)phenol hydrate hydrochloride CAS Name: 4-[(7-chloro-4-quinolinyl)amino]-2-(diethylaminomethyl)phenol hydrate hydrochloride IUPAC Name: 4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol hydrate hydrochloride Traditional Name: 4-[(7-chloro-4-quinolyl)amino]-2-(diethylaminomethyl)phenol hydrate hydrochloride Formula: C20H25Cl2N3O2 MolecularWeight: 410.3374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O.ClH.H2O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19;;/h5-12,25H,3-4,13H2,1-2H3,(H,22,23);1H;1H2