2-[2-(3,5-dimethylphenyl)-5-nitro-1H-indol-3-yl]-N-(phenylmethyl)ethanamine

Systemtic Name: 2-[2-(3,5-dimethylphenyl)-5-nitro-1H-indol-3-yl]-N-(phenylmethyl)ethanamine Openeye Name: N-benzyl-2-[2-(3,5-dimethylphenyl)-5-nitro-1H-indol-3-yl]ethanamine CAS Name: 2-[2-(3,5-dimethylphenyl)-5-nitro-1H-indol-3-yl]-N-(phenylmethyl)ethanamine IUPAC Name: N-benzyl-2-[2-(3,5-dimethylphenyl)-5-nitro-1H-indol-3-yl]ethanamine Traditional Name: benzyl-[2-[2-(3,5-dimethylphenyl)-5-nitro-1H-indol-3-yl]ethyl]amine Formula: C25H25N3O2 MolecularWeight: 399.4849

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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-])CCNCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)[N+](=O)[O-])CCNCC4=CC=CC=C4)C

InChI

InChI=1S/C25H25N3O2/c1-17-12-18(2)14-20(13-17)25-22(10-11-26-16-19-6-4-3-5-7-19)23-15-21(28(29)30)8-9-24(23)27-25/h3-9,12-15,26-27H,10-11,16H2,1-2H3