N-[2-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]ethyl]-4-quinolin-3-yl-butan-1-amine

Systemtic Name: N-[2-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]ethyl]-4-quinolin-3-yl-butan-1-amine Openeye Name: N-[2-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]ethyl]-4-(3-quinolyl)butan-1-amine CAS Name: N-[2-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]ethyl]-4-(3-quinolinyl)-1-butanamine IUPAC Name: N-[2-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]ethyl]-4-quinolin-3-ylbutan-1-amine Traditional Name: 2-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]ethyl-[4-(3-quinolyl)butyl]amine Formula: C31H33N3 MolecularWeight: 447.61382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C3=CC=CC=C3N2)CCNCCCCC4=CC5=CC=CC=C5N=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=CC=CC=C3N2)CCNCCCCC4=CC5=CC=CC=C5N=C4)C

InChI

InChI=1S/C31H33N3/c1-22-17-23(2)19-26(18-22)31-28(27-11-4-6-13-30(27)34-31)14-16-32-15-8-7-9-24-20-25-10-3-5-12-29(25)33-21-24/h3-6,10-13,17-21,32,34H,7-9,14-16H2,1-2H3