2-[2-[[5-[(7-chloranylquinolin-4-yl)amino]-2-oxidanyl-phenyl]methyl-ethyl-amino]ethyl]-1-phenyl-guanidine

Systemtic Name: 2-[2-[[5-[(7-chloranylquinolin-4-yl)amino]-2-oxidanyl-phenyl]methyl-ethyl-amino]ethyl]-1-phenyl-guanidine Openeye Name: 2-[2-[[5-[(7-chloro-4-quinolyl)amino]-2-hydroxy-phenyl]methyl-ethyl-amino]ethyl]-1-phenyl-guanidine CAS Name: 2-[2-[[5-[(7-chloro-4-quinolinyl)amino]-2-hydroxyphenyl]methyl-ethylamino]ethyl]-1-phenylguanidine IUPAC Name: 2-[2-[[5-[(7-chloroquinolin-4-yl)amino]-2-hydroxyphenyl]methyl-ethylamino]ethyl]-1-phenylguanidine Traditional Name: 2-[2-[[5-[(7-chloro-4-quinolyl)amino]-2-hydroxy-benzyl]-ethyl-amino]ethyl]-1-phenyl-guanidine Formula: C27H29ClN6O MolecularWeight: 489.01176

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCN=C(N)NC1=CC=CC=C1)CC2=C(C=CC(=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)O

Isomeric SMILES

CCN(CCN=C(N)NC1=CC=CC=C1)CC2=C(C=CC(=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)O

InChI

InChI=1S/C27H29ClN6O/c1-2-34(15-14-31-27(29)33-21-6-4-3-5-7-21)18-19-16-22(9-11-26(19)35)32-24-12-13-30-25-17-20(28)8-10-23(24)25/h3-13,16-17,35H,2,14-15,18H2,1H3,(H,30,32)(H3,29,31,33)