1-(4-ethanoylpiperazin-1-yl)-3-(3-fluorophenyl)-3-[5-nitro-1-(phenylmethyl)indol-3-yl]propan-1-one

Systemtic Name: 1-(4-ethanoylpiperazin-1-yl)-3-(3-fluorophenyl)-3-[5-nitro-1-(phenylmethyl)indol-3-yl]propan-1-one Openeye Name: 1-(4-acetylpiperazin-1-yl)-3-(1-benzyl-5-nitro-indol-3-yl)-3-(3-fluorophenyl)propan-1-one CAS Name: 1-(4-acetyl-1-piperazinyl)-3-(3-fluorophenyl)-3-[5-nitro-1-(phenylmethyl)-3-indolyl]-1-propanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-3-(1-benzyl-5-nitroindol-3-yl)-3-(3-fluorophenyl)propan-1-one Traditional Name: 1-(4-acetylpiperazino)-3-(1-benzyl-5-nitro-indol-3-yl)-3-(3-fluorophenyl)propan-1-one Formula: C30H29FN4O4 MolecularWeight: 528.574063

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CC(C2=CC(=CC=C2)F)C3=CN(C4=C3C=C(C=C4)[N+](=O)[O-])CC5=CC=CC=C5

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CC(C2=CC(=CC=C2)F)C3=CN(C4=C3C=C(C=C4)[N+](=O)[O-])CC5=CC=CC=C5

InChI

InChI=1S/C30H29FN4O4/c1-21(36)32-12-14-33(15-13-32)30(37)18-26(23-8-5-9-24(31)16-23)28-20-34(19-22-6-3-2-4-7-22)29-11-10-25(35(38)39)17-27(28)29/h2-11,16-17,20,26H,12-15,18-19H2,1H3