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

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-(3-fluorophenyl)-3-[5-nitro-1-(phenylmethyl)indol-3-yl]propan-1-one Openeye Name: 3-(1-benzyl-5-nitro-indol-3-yl)-1-(4-ethylpiperazin-1-yl)-3-(3-fluorophenyl)propan-1-one CAS Name: 1-(4-ethyl-1-piperazinyl)-3-(3-fluorophenyl)-3-[5-nitro-1-(phenylmethyl)-3-indolyl]-1-propanone IUPAC Name: 3-(1-benzyl-5-nitroindol-3-yl)-1-(4-ethylpiperazin-1-yl)-3-(3-fluorophenyl)propan-1-one Traditional Name: 3-(1-benzyl-5-nitro-indol-3-yl)-1-(4-ethylpiperazino)-3-(3-fluorophenyl)propan-1-one Formula: C30H31FN4O3 MolecularWeight: 514.590543

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(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

CCN1CCN(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/C30H31FN4O3/c1-2-32-13-15-33(16-14-32)30(36)19-26(23-9-6-10-24(31)17-23)28-21-34(20-22-7-4-3-5-8-22)29-12-11-25(35(37)38)18-27(28)29/h3-12,17-18,21,26H,2,13-16,19-20H2,1H3