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

Systemtic Name: N-[2-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]ethyl]-4-pyrimidin-5-yl-butan-1-amine Openeye Name: N-[2-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]ethyl]-4-pyrimidin-5-yl-butan-1-amine CAS Name: N-[2-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]ethyl]-4-(5-pyrimidinyl)-1-butanamine IUPAC Name: N-[2-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]ethyl]-4-pyrimidin-5-ylbutan-1-amine Traditional Name: 2-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]ethyl-[4-(5-pyrimidyl)butyl]amine Formula: C26H30N4 MolecularWeight: 398.5432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4/c1-19-13-20(2)15-22(14-19)26-24(23-8-3-4-9-25(23)30-26)10-12-27-11-6-5-7-21-16-28-18-29-17-21/h3-4,8-9,13-18,27,30H,5-7,10-12H2,1-2H3