4-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-phenyl]methylideneamino]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-phenyl]methylideneamino]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-phenyl]methyleneamino]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitrophenyl]methylideneamino]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitrophenyl]methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 1,5-dimethyl-4-[[5-nitro-2-(4-piperonylpiperazino)benzylidene]amino]-2-phenyl-3-pyrazolin-3-one Formula: C30H30N6O5 MolecularWeight: 554.5964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=C(C=CC(=C3)[N+](=O)[O-])N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=C(C=CC(=C3)[N+](=O)[O-])N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C30H30N6O5/c1-21-29(30(37)35(32(21)2)24-6-4-3-5-7-24)31-18-23-17-25(36(38)39)9-10-26(23)34-14-12-33(13-15-34)19-22-8-11-27-28(16-22)41-20-40-27/h3-11,16-18H,12-15,19-20H2,1-2H3