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

Systemtic Name: N-[2-[2-(3,5-dimethylphenyl)-5-nitro-1H-indol-3-yl]ethyl]-4-pyridin-3-yl-butan-1-amine Openeye Name: N-[2-[2-(3,5-dimethylphenyl)-5-nitro-1H-indol-3-yl]ethyl]-4-(3-pyridyl)butan-1-amine CAS Name: N-[2-[2-(3,5-dimethylphenyl)-5-nitro-1H-indol-3-yl]ethyl]-4-(3-pyridinyl)-1-butanamine IUPAC Name: N-[2-[2-(3,5-dimethylphenyl)-5-nitro-1H-indol-3-yl]ethyl]-4-pyridin-3-ylbutan-1-amine Traditional Name: 2-[2-(3,5-dimethylphenyl)-5-nitro-1H-indol-3-yl]ethyl-[4-(3-pyridyl)butyl]amine Formula: C27H30N4O2 MolecularWeight: 442.5527

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)[N+](=O)[O-])CCNCCCCC4=CN=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)[N+](=O)[O-])CCNCCCCC4=CN=CC=C4)C

InChI

InChI=1S/C27H30N4O2/c1-19-14-20(2)16-22(15-19)27-24(25-17-23(31(32)33)8-9-26(25)30-27)10-13-28-11-4-3-6-21-7-5-12-29-18-21/h5,7-9,12,14-18,28,30H,3-4,6,10-11,13H2,1-2H3