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

Systemtic Name: 1-(4-ethanoylpiperazin-1-yl)-3-[5-nitro-1-(phenylmethyl)indol-3-yl]-3-phenyl-propan-1-one Openeye Name: 1-(4-acetylpiperazin-1-yl)-3-(1-benzyl-5-nitro-indol-3-yl)-3-phenyl-propan-1-one CAS Name: 1-(4-acetyl-1-piperazinyl)-3-[5-nitro-1-(phenylmethyl)-3-indolyl]-3-phenyl-1-propanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-3-(1-benzyl-5-nitroindol-3-yl)-3-phenylpropan-1-one Traditional Name: 1-(4-acetylpiperazino)-3-(1-benzyl-5-nitro-indol-3-yl)-3-phenyl-propan-1-one Formula: C30H30N4O4 MolecularWeight: 510.5836

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H30N4O4/c1-22(35)31-14-16-32(17-15-31)30(36)19-26(24-10-6-3-7-11-24)28-21-33(20-23-8-4-2-5-9-23)29-13-12-25(34(37)38)18-27(28)29/h2-13,18,21,26H,14-17,19-20H2,1H3