N,N'-bis(2-phenylquinolin-4-yl)octane-1,8-diamine hydrochloride

Systemtic Name: N,N'-bis(2-phenylquinolin-4-yl)octane-1,8-diamine hydrochloride Openeye Name: N,N'-bis(2-phenyl-4-quinolyl)octane-1,8-diamine hydrochloride CAS Name: N,N'-bis(2-phenyl-4-quinolinyl)octane-1,8-diamine hydrochloride IUPAC Name: N,N'-bis(2-phenylquinolin-4-yl)octane-1,8-diamine hydrochloride Traditional Name: (2-phenyl-4-quinolyl)-[8-[(2-phenyl-4-quinolyl)amino]octyl]amine hydrochloride Formula: C38H39ClN4 MolecularWeight: 587.19606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)NCCCCCCCCNC4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6.Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)NCCCCCCCCNC4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6.Cl

InChI

InChI=1S/C38H38N4.ClH/c1(3-15-25-39-37-27-35(29-17-7-5-8-18-29)41-33-23-13-11-21-31(33)37)2-4-16-26-40-38-28-36(30-19-9-6-10-20-30)42-34-24-14-12-22-32(34)38;/h5-14,17-24,27-28H,1-4,15-16,25-26H2,(H,39,41)(H,40,42);1H