N4-(7-chloranylquinolin-4-yl)-N1-[(4-phenoxyphenyl)methyl]cyclohexane-1,4-diamine

Systemtic Name: N4-(7-chloranylquinolin-4-yl)-N1-[(4-phenoxyphenyl)methyl]cyclohexane-1,4-diamine Openeye Name: N4-(7-chloro-4-quinolyl)-N1-[(4-phenoxyphenyl)methyl]cyclohexane-1,4-diamine CAS Name: N4-(7-chloro-4-quinolinyl)-N1-[(4-phenoxyphenyl)methyl]cyclohexane-1,4-diamine IUPAC Name: 4-N-(7-chloroquinolin-4-yl)-1-N-[(4-phenoxyphenyl)methyl]cyclohexane-1,4-diamine Traditional Name: (7-chloro-4-quinolyl)-[4-[(4-phenoxybenzyl)amino]cyclohexyl]amine Formula: C28H28ClN3O MolecularWeight: 457.99442

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NCC2=CC=C(C=C2)OC3=CC=CC=C3)NC4=C5C=CC(=CC5=NC=C4)Cl

Isomeric SMILES

C1CC(CCC1NCC2=CC=C(C=C2)OC3=CC=CC=C3)NC4=C5C=CC(=CC5=NC=C4)Cl

InChI

InChI=1S/C28H28ClN3O/c29-21-8-15-26-27(16-17-30-28(26)18-21)32-23-11-9-22(10-12-23)31-19-20-6-13-25(14-7-20)33-24-4-2-1-3-5-24/h1-8,13-18,22-23,31H,9-12,19H2,(H,30,32)