3-(4-fluorophenyl)-3-[5-nitro-1-(phenylmethyl)indol-3-yl]-N-pentyl-propanamide

Systemtic Name: 3-(4-fluorophenyl)-3-[5-nitro-1-(phenylmethyl)indol-3-yl]-N-pentyl-propanamide Openeye Name: 3-(1-benzyl-5-nitro-indol-3-yl)-3-(4-fluorophenyl)-N-pentyl-propanamide CAS Name: 3-(4-fluorophenyl)-3-[5-nitro-1-(phenylmethyl)-3-indolyl]-N-pentylpropanamide IUPAC Name: 3-(1-benzyl-5-nitroindol-3-yl)-3-(4-fluorophenyl)-N-pentylpropanamide Traditional Name: N-amyl-3-(1-benzyl-5-nitro-indol-3-yl)-3-(4-fluorophenyl)propionamide Formula: C29H30FN3O3 MolecularWeight: 487.565203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)CC(C1=CC=C(C=C1)F)C2=CN(C3=C2C=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

CCCCCNC(=O)CC(C1=CC=C(C=C1)F)C2=CN(C3=C2C=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C29H30FN3O3/c1-2-3-7-16-31-29(34)18-25(22-10-12-23(30)13-11-22)27-20-32(19-21-8-5-4-6-9-21)28-15-14-24(33(35)36)17-26(27)28/h4-6,8-15,17,20,25H,2-3,7,16,18-19H2,1H3,(H,31,34)