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

Systemtic Name: N-butyl-3-(3-fluorophenyl)-3-[5-nitro-1-(phenylmethyl)indol-3-yl]propanamide Openeye Name: 3-(1-benzyl-5-nitro-indol-3-yl)-N-butyl-3-(3-fluorophenyl)propanamide CAS Name: N-butyl-3-(3-fluorophenyl)-3-[5-nitro-1-(phenylmethyl)-3-indolyl]propanamide IUPAC Name: 3-(1-benzyl-5-nitroindol-3-yl)-N-butyl-3-(3-fluorophenyl)propanamide Traditional Name: 3-(1-benzyl-5-nitro-indol-3-yl)-N-butyl-3-(3-fluorophenyl)propionamide Formula: C28H28FN3O3 MolecularWeight: 473.538623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28FN3O3/c1-2-3-14-30-28(33)17-24(21-10-7-11-22(29)15-21)26-19-31(18-20-8-5-4-6-9-20)27-13-12-23(32(34)35)16-25(26)27/h4-13,15-16,19,24H,2-3,14,17-18H2,1H3,(H,30,33)