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

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-[5-nitro-1-(phenylmethyl)indol-3-yl]-3-phenyl-propan-1-one Openeye Name: 3-(1-benzyl-5-nitro-indol-3-yl)-1-(4-ethylpiperazin-1-yl)-3-phenyl-propan-1-one CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[5-nitro-1-(phenylmethyl)-3-indolyl]-3-phenyl-1-propanone IUPAC Name: 3-(1-benzyl-5-nitroindol-3-yl)-1-(4-ethylpiperazin-1-yl)-3-phenylpropan-1-one Traditional Name: 3-(1-benzyl-5-nitro-indol-3-yl)-1-(4-ethylpiperazino)-3-phenyl-propan-1-one Formula: C30H32N4O3 MolecularWeight: 496.60008

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CC(C2=CC=CC=C2)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)C3=CN(C4=C3C=C(C=C4)[N+](=O)[O-])CC5=CC=CC=C5

InChI

InChI=1S/C30H32N4O3/c1-2-31-15-17-32(18-16-31)30(35)20-26(24-11-7-4-8-12-24)28-22-33(21-23-9-5-3-6-10-23)29-14-13-25(34(36)37)19-27(28)29/h3-14,19,22,26H,2,15-18,20-21H2,1H3