(1S,2S)-N2-(7-chloranylquinolin-4-yl)-N1-(phenylmethyl)cyclohexane-1,2-diamine

Systemtic Name: (1S,2S)-N2-(7-chloranylquinolin-4-yl)-N1-(phenylmethyl)cyclohexane-1,2-diamine Openeye Name: (1S,2S)-N1-benzyl-N2-(7-chloro-4-quinolyl)cyclohexane-1,2-diamine CAS Name: (1S,2S)-N2-(7-chloro-4-quinolinyl)-N1-(phenylmethyl)cyclohexane-1,2-diamine IUPAC Name: (1S,2S)-1-N-benzyl-2-N-(7-chloroquinolin-4-yl)cyclohexane-1,2-diamine Traditional Name: benzyl-[(1S,2S)-2-[(7-chloro-4-quinolyl)amino]cyclohexyl]amine Formula: C22H24ClN3 MolecularWeight: 365.89906

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)NCC2=CC=CC=C2)NC3=C4C=CC(=CC4=NC=C3)Cl

Isomeric SMILES

C1CC[C@@H]([C@H](C1)NCC2=CC=CC=C2)NC3=C4C=CC(=CC4=NC=C3)Cl

InChI

InChI=1S/C22H24ClN3/c23-17-10-11-18-19(12-13-24-22(18)14-17)26-21-9-5-4-8-20(21)25-15-16-6-2-1-3-7-16/h1-3,6-7,10-14,20-21,25H,4-5,8-9,15H2,(H,24,26)/t20-,21-/m0/s1