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

Systemtic Name: N-[2-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]ethyl]-4-pyridin-2-yl-butan-1-amine Openeye Name: N-[2-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]ethyl]-4-(2-pyridyl)butan-1-amine CAS Name: N-[2-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]ethyl]-4-(2-pyridinyl)-1-butanamine IUPAC Name: N-[2-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]ethyl]-4-pyridin-2-ylbutan-1-amine Traditional Name: 2-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]ethyl-[4-(2-pyridyl)butyl]amine Formula: C27H31N3 MolecularWeight: 397.55514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C3=CC=CC=C3N2)CCNCCCCC4=CC=CC=N4)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=CC=CC=C3N2)CCNCCCCC4=CC=CC=N4)C

InChI

InChI=1S/C27H31N3/c1-20-17-21(2)19-22(18-20)27-25(24-11-3-4-12-26(24)30-27)13-16-28-14-7-5-9-23-10-6-8-15-29-23/h3-4,6,8,10-12,15,17-19,28,30H,5,7,9,13-14,16H2,1-2H3