3-(4-fluorophenyl)-N-(3-methylbutan-2-yl)-3-[5-nitro-1-(phenylmethyl)indol-3-yl]propanamide

Systemtic Name: 3-(4-fluorophenyl)-N-(3-methylbutan-2-yl)-3-[5-nitro-1-(phenylmethyl)indol-3-yl]propanamide Openeye Name: 3-(1-benzyl-5-nitro-indol-3-yl)-N-(1,2-dimethylpropyl)-3-(4-fluorophenyl)propanamide CAS Name: 3-(4-fluorophenyl)-N-(3-methylbutan-2-yl)-3-[5-nitro-1-(phenylmethyl)-3-indolyl]propanamide IUPAC Name: 3-(1-benzyl-5-nitroindol-3-yl)-3-(4-fluorophenyl)-N-(3-methylbutan-2-yl)propanamide Traditional Name: 3-(1-benzyl-5-nitro-indol-3-yl)-N-(1,2-dimethylpropyl)-3-(4-fluorophenyl)propionamide Formula: C29H30FN3O3 MolecularWeight: 487.565203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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