3-(3-fluorophenyl)-3-[5-nitro-1-(phenylmethyl)indol-3-yl]-N-(phenylmethyl)propanamide

Systemtic Name: 3-(3-fluorophenyl)-3-[5-nitro-1-(phenylmethyl)indol-3-yl]-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-3-(1-benzyl-5-nitro-indol-3-yl)-3-(3-fluorophenyl)propanamide CAS Name: 3-(3-fluorophenyl)-3-[5-nitro-1-(phenylmethyl)-3-indolyl]-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-3-(1-benzyl-5-nitroindol-3-yl)-3-(3-fluorophenyl)propanamide Traditional Name: N-benzyl-3-(1-benzyl-5-nitro-indol-3-yl)-3-(3-fluorophenyl)propionamide Formula: C31H26FN3O3 MolecularWeight: 507.554843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CC(C2=CC(=CC=C2)F)C3=CN(C4=C3C=C(C=C4)[N+](=O)[O-])CC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CC(C2=CC(=CC=C2)F)C3=CN(C4=C3C=C(C=C4)[N+](=O)[O-])CC5=CC=CC=C5

InChI

InChI=1S/C31H26FN3O3/c32-25-13-7-12-24(16-25)27(18-31(36)33-19-22-8-3-1-4-9-22)29-21-34(20-23-10-5-2-6-11-23)30-15-14-26(35(37)38)17-28(29)30/h1-17,21,27H,18-20H2,(H,33,36)