1-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-1-yl]-2-(9H-xanthen-9-yl)ethanone

Systemtic Name: 1-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-1-yl]-2-(9H-xanthen-9-yl)ethanone Openeye Name: 1-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-1-yl]-2-(9H-xanthen-9-yl)ethanone CAS Name: 1-[4-[3-(3,5-dimethyl-1-pyrazolyl)-4-nitrophenyl]-1-piperazinyl]-2-(9H-xanthen-9-yl)ethanone IUPAC Name: 1-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl]-2-(9H-xanthen-9-yl)ethanone Traditional Name: 1-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazino]-2-(9H-xanthen-9-yl)ethanone Formula: C30H29N5O4 MolecularWeight: 523.58236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)C(=O)CC4C5=CC=CC=C5OC6=CC=CC=C46)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)C(=O)CC4C5=CC=CC=C5OC6=CC=CC=C46)[N+](=O)[O-])C

InChI

InChI=1S/C30H29N5O4/c1-20-17-21(2)34(31-20)27-18-22(11-12-26(27)35(37)38)32-13-15-33(16-14-32)30(36)19-25-23-7-3-5-9-28(23)39-29-10-6-4-8-24(25)29/h3-12,17-18,25H,13-16,19H2,1-2H3