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

Systemtic Name: N4-(3-bromanyl-5-methyl-phenyl)-N1-(7-chloranylquinolin-4-yl)cyclohexane-1,4-diamine Openeye Name: N4-(3-bromo-5-methyl-phenyl)-N1-(7-chloro-4-quinolyl)cyclohexane-1,4-diamine CAS Name: N4-(3-bromo-5-methylphenyl)-N1-(7-chloro-4-quinolinyl)cyclohexane-1,4-diamine IUPAC Name: 4-N-(3-bromo-5-methylphenyl)-1-N-(7-chloroquinolin-4-yl)cyclohexane-1,4-diamine Traditional Name: [4-(3-bromo-5-methyl-anilino)cyclohexyl]-(7-chloro-4-quinolyl)amine Formula: C22H23BrClN3 MolecularWeight: 444.79512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)Br)NC2CCC(CC2)NC3=C4C=CC(=CC4=NC=C3)Cl

Isomeric SMILES

CC1=CC(=CC(=C1)Br)NC2CCC(CC2)NC3=C4C=CC(=CC4=NC=C3)Cl

InChI

InChI=1S/C22H23BrClN3/c1-14-10-15(23)12-19(11-14)26-17-3-5-18(6-4-17)27-21-8-9-25-22-13-16(24)2-7-20(21)22/h2,7-13,17-18,26H,3-6H2,1H3,(H,25,27)