1-[2-(3,5-dimethylphenyl)-3-[2-(4-pyridin-4-ylbutylamino)ethyl]-1H-indol-5-yl]ethanone

Systemtic Name: 1-[2-(3,5-dimethylphenyl)-3-[2-(4-pyridin-4-ylbutylamino)ethyl]-1H-indol-5-yl]ethanone Openeye Name: 1-[2-(3,5-dimethylphenyl)-3-[2-[4-(4-pyridyl)butylamino]ethyl]-1H-indol-5-yl]ethanone CAS Name: 1-[2-(3,5-dimethylphenyl)-3-[2-(4-pyridin-4-ylbutylamino)ethyl]-1H-indol-5-yl]ethanone IUPAC Name: 1-[2-(3,5-dimethylphenyl)-3-[2-(4-pyridin-4-ylbutylamino)ethyl]-1H-indol-5-yl]ethanone Traditional Name: 1-[2-(3,5-dimethylphenyl)-3-[2-[4-(4-pyridyl)butylamino]ethyl]-1H-indol-5-yl]ethanone Formula: C29H33N3O MolecularWeight: 439.59182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)C(=O)C)CCNCCCCC4=CC=NC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)C(=O)C)CCNCCCCC4=CC=NC=C4)C

InChI

InChI=1S/C29H33N3O/c1-20-16-21(2)18-25(17-20)29-26(27-19-24(22(3)33)7-8-28(27)32-29)11-15-30-12-5-4-6-23-9-13-31-14-10-23/h7-10,13-14,16-19,30,32H,4-6,11-12,15H2,1-3H3