N'-[[(1S,4S,5R)-5-bicyclo[2.2.1]hept-2-enyl]methyl]-N-(7-chloranylquinolin-4-yl)-N'-(phenylmethyl)propane-1,3-diamine

Systemtic Name: N'-[[(1S,4S,5R)-5-bicyclo[2.2.1]hept-2-enyl]methyl]-N-(7-chloranylquinolin-4-yl)-N'-(phenylmethyl)propane-1,3-diamine Openeye Name: N'-benzyl-N'-[[(1S,4S,5R)-5-bicyclo[2.2.1]hept-2-enyl]methyl]-N-(7-chloro-4-quinolyl)propane-1,3-diamine CAS Name: N'-[[(1S,4S,5R)-5-bicyclo[2.2.1]hept-2-enyl]methyl]-N-(7-chloro-4-quinolinyl)-N'-(phenylmethyl)propane-1,3-diamine IUPAC Name: N'-benzyl-N'-[[(1S,4S,5R)-5-bicyclo[2.2.1]hept-2-enyl]methyl]-N-(7-chloroquinolin-4-yl)propane-1,3-diamine Traditional Name: benzyl-[[(1S,4S,5R)-5-bicyclo[2.2.1]hept-2-enyl]methyl]-[3-[(7-chloro-4-quinolyl)amino]propyl]amine Formula: C27H30ClN3 MolecularWeight: 432.0002

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC(C1C=C2)CN(CCCNC3=C4C=CC(=CC4=NC=C3)Cl)CC5=CC=CC=C5

Isomeric SMILES

C1[C@H]2C[C@H]([C@@H]1C=C2)CN(CCCNC3=C4C=CC(=CC4=NC=C3)Cl)CC5=CC=CC=C5

InChI

InChI=1S/C27H30ClN3/c28-24-9-10-25-26(11-13-30-27(25)17-24)29-12-4-14-31(18-20-5-2-1-3-6-20)19-23-16-21-7-8-22(23)15-21/h1-3,5-11,13,17,21-23H,4,12,14-16,18-19H2,(H,29,30)/t21-,22+,23-/m0/s1