N-[(6-methoxyquinolin-4-yl)methyl]-1-phenethyl-azepan-2-amine

Systemtic Name: N-[(6-methoxyquinolin-4-yl)methyl]-1-phenethyl-azepan-2-amine Openeye Name: N-[(6-methoxy-4-quinolyl)methyl]-1-phenethyl-azepan-2-amine CAS Name: N-[(6-methoxy-4-quinolinyl)methyl]-1-phenethyl-2-azepanamine IUPAC Name: N-[(6-methoxyquinolin-4-yl)methyl]-1-phenethylazepan-2-amine Traditional Name: (6-methoxy-4-quinolyl)methyl-(1-phenethylazepan-2-yl)amine Formula: C25H31N3O MolecularWeight: 389.53314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)CNC3CCCCCN3CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)CNC3CCCCCN3CCC4=CC=CC=C4

InChI

InChI=1S/C25H31N3O/c1-29-22-11-12-24-23(18-22)21(13-15-26-24)19-27-25-10-6-3-7-16-28(25)17-14-20-8-4-2-5-9-20/h2,4-5,8-9,11-13,15,18,25,27H,3,6-7,10,14,16-17,19H2,1H3