2-[(but-3-en-2-ylamino)methyl]-4-[(7-chloranylquinolin-4-yl)amino]phenol hydrochloride

Systemtic Name: 2-[(but-3-en-2-ylamino)methyl]-4-[(7-chloranylquinolin-4-yl)amino]phenol hydrochloride Openeye Name: 4-[(7-chloro-4-quinolyl)amino]-2-[(1-methylallylamino)methyl]phenol hydrochloride CAS Name: 2-[(but-3-en-2-ylamino)methyl]-4-[(7-chloro-4-quinolinyl)amino]phenol hydrochloride IUPAC Name: 2-[(but-3-en-2-ylamino)methyl]-4-[(7-chloroquinolin-4-yl)amino]phenol hydrochloride Traditional Name: 4-[(7-chloro-4-quinolyl)amino]-2-[(1-methylallylamino)methyl]phenol hydrochloride Formula: C20H21Cl2N3O MolecularWeight: 390.30624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C=C)NCC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O.Cl

Isomeric SMILES

CC(C=C)NCC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O.Cl

InChI

InChI=1S/C20H20ClN3O.ClH/c1-3-13(2)23-12-14-10-16(5-7-20(14)25)24-18-8-9-22-19-11-15(21)4-6-17(18)19;/h3-11,13,23,25H,1,12H2,2H3,(H,22,24);1H