N-[(3-chloranyl-4-methoxy-phenyl)methyl]-3-[[icosyl(methyl)amino]methyl]-6-isocyano-quinolin-4-amine

Systemtic Name: N-[(3-chloranyl-4-methoxy-phenyl)methyl]-3-[[icosyl(methyl)amino]methyl]-6-isocyano-quinolin-4-amine Openeye Name: N-[(3-chloro-4-methoxy-phenyl)methyl]-3-[[icosyl(methyl)amino]methyl]-6-isocyano-quinolin-4-amine CAS Name: N-[(3-chloro-4-methoxyphenyl)methyl]-3-[[eicosyl(methyl)amino]methyl]-6-isocyano-4-quinolinamine IUPAC Name: N-[(3-chloro-4-methoxyphenyl)methyl]-3-[[icosyl(methyl)amino]methyl]-6-isocyanoquinolin-4-amine Traditional Name: arachyl-[[4-[(3-chloro-4-methoxy-benzyl)amino]-6-isocyano-3-quinolyl]methyl]-methyl-amine Formula: C40H59ClN4O MolecularWeight: 647.37566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCN(C)CC1=CN=C2C=CC(=CC2=C1NCC3=CC(=C(C=C3)OC)Cl)[N+]#[C-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCN(C)CC1=CN=C2C=CC(=CC2=C1NCC3=CC(=C(C=C3)OC)Cl)[N+]#[C-]

InChI

InChI=1S/C40H59ClN4O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-45(3)32-34-31-43-38-25-24-35(42-2)29-36(38)40(34)44-30-33-23-26-39(46-4)37(41)28-33/h23-26,28-29,31H,5-22,27,30,32H2,1,3-4H3,(H,43,44)