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

Systemtic Name: N-[2-[2-(3,5-dimethylphenyl)-5-nitro-1H-indol-3-yl]ethyl]-N-(phenylmethyl)-4-pyridin-3-yl-butan-1-amine Openeye Name: N-benzyl-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]-N-(phenylmethyl)-4-(3-pyridinyl)-1-butanamine IUPAC Name: N-benzyl-N-[2-[2-(3,5-dimethylphenyl)-5-nitro-1H-indol-3-yl]ethyl]-4-pyridin-3-ylbutan-1-amine Traditional Name: benzyl-[2-[2-(3,5-dimethylphenyl)-5-nitro-1H-indol-3-yl]ethyl]-[4-(3-pyridyl)butyl]amine Formula: C34H36N4O2 MolecularWeight: 532.67524

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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-])CCN(CCCCC4=CN=CC=C4)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)[N+](=O)[O-])CCN(CCCCC4=CN=CC=C4)CC5=CC=CC=C5)C

InChI

InChI=1S/C34H36N4O2/c1-25-19-26(2)21-29(20-25)34-31(32-22-30(38(39)40)13-14-33(32)36-34)15-18-37(24-28-10-4-3-5-11-28)17-7-6-9-27-12-8-16-35-23-27/h3-5,8,10-14,16,19-23,36H,6-7,9,15,17-18,24H2,1-2H3