N1-(7-chloranylquinolin-4-yl)-N4-[3-methyl-5-(3-methylphenyl)phenyl]cyclohexane-1,4-diamine

Systemtic Name: N1-(7-chloranylquinolin-4-yl)-N4-[3-methyl-5-(3-methylphenyl)phenyl]cyclohexane-1,4-diamine Openeye Name: N1-(7-chloro-4-quinolyl)-N4-[3-methyl-5-(m-tolyl)phenyl]cyclohexane-1,4-diamine CAS Name: N1-(7-chloro-4-quinolinyl)-N4-[3-methyl-5-(3-methylphenyl)phenyl]cyclohexane-1,4-diamine IUPAC Name: 1-N-(7-chloroquinolin-4-yl)-4-N-[3-methyl-5-(3-methylphenyl)phenyl]cyclohexane-1,4-diamine Traditional Name: (7-chloro-4-quinolyl)-[4-[3-methyl-5-(m-tolyl)anilino]cyclohexyl]amine Formula: C29H30ClN3 MolecularWeight: 456.0216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC(=CC(=C2)NC3CCC(CC3)NC4=C5C=CC(=CC5=NC=C4)Cl)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC(=CC(=C2)NC3CCC(CC3)NC4=C5C=CC(=CC5=NC=C4)Cl)C

InChI

InChI=1S/C29H30ClN3/c1-19-4-3-5-21(14-19)22-15-20(2)16-26(17-22)32-24-7-9-25(10-8-24)33-28-12-13-31-29-18-23(30)6-11-27(28)29/h3-6,11-18,24-25,32H,7-10H2,1-2H3,(H,31,33)