2-acetamido-N-(3,5-dimethylphenyl)-N-[3-[2-[4-(4-nitrophenyl)butyl-(phenylmethyl)amino]ethyl]-1H-indol-5-yl]ethanamide

Systemtic Name: 2-acetamido-N-(3,5-dimethylphenyl)-N-[3-[2-[4-(4-nitrophenyl)butyl-(phenylmethyl)amino]ethyl]-1H-indol-5-yl]ethanamide Openeye Name: 2-acetamido-N-[3-[2-[benzyl-[4-(4-nitrophenyl)butyl]amino]ethyl]-1H-indol-5-yl]-N-(3,5-dimethylphenyl)acetamide CAS Name: 2-acetamido-N-(3,5-dimethylphenyl)-N-[3-[2-[4-(4-nitrophenyl)butyl-(phenylmethyl)amino]ethyl]-1H-indol-5-yl]acetamide IUPAC Name: 2-acetamido-N-[3-[2-[benzyl-[4-(4-nitrophenyl)butyl]amino]ethyl]-1H-indol-5-yl]-N-(3,5-dimethylphenyl)acetamide Traditional Name: 2-acetamido-N-[3-[2-[benzyl-[4-(4-nitrophenyl)butyl]amino]ethyl]-1H-indol-5-yl]-N-(3,5-dimethylphenyl)acetamide Formula: C39H43N5O4 MolecularWeight: 645.78982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(C2=CC3=C(C=C2)NC=C3CCN(CCCCC4=CC=C(C=C4)[N+](=O)[O-])CC5=CC=CC=C5)C(=O)CNC(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(C2=CC3=C(C=C2)NC=C3CCN(CCCCC4=CC=C(C=C4)[N+](=O)[O-])CC5=CC=CC=C5)C(=O)CNC(=O)C)C

InChI

InChI=1S/C39H43N5O4/c1-28-21-29(2)23-36(22-28)43(39(46)26-40-30(3)45)35-16-17-38-37(24-35)33(25-41-38)18-20-42(27-32-10-5-4-6-11-32)19-8-7-9-31-12-14-34(15-13-31)44(47)48/h4-6,10-17,21-25,41H,7-9,18-20,26-27H2,1-3H3,(H,40,45)