2-chloranyl-3-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-1-yl]naphthalene-1,4-dione

Systemtic Name: 2-chloranyl-3-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-1-yl]naphthalene-1,4-dione Openeye Name: 2-chloro-3-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-1-yl]naphthalene-1,4-dione CAS Name: 2-chloro-3-[4-[3-(3,5-dimethyl-1-pyrazolyl)-4-nitrophenyl]-1-piperazinyl]naphthalene-1,4-dione IUPAC Name: 2-chloro-3-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl]naphthalene-1,4-dione Traditional Name: 2-chloro-3-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazino]-1,4-naphthoquinone Formula: C25H22ClN5O4 MolecularWeight: 491.92628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)C4=C(C(=O)C5=CC=CC=C5C4=O)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)C4=C(C(=O)C5=CC=CC=C5C4=O)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C25H22ClN5O4/c1-15-13-16(2)30(27-15)21-14-17(7-8-20(21)31(34)35)28-9-11-29(12-10-28)23-22(26)24(32)18-5-3-4-6-19(18)25(23)33/h3-8,13-14H,9-12H2,1-2H3