1,5-dimethyl-4-[[1-(3-nitro-4-piperidin-1-yl-phenyl)pyrrol-2-yl]methylideneamino]-2-phenyl-pyrazol-3-one

Systemtic Name: 1,5-dimethyl-4-[[1-(3-nitro-4-piperidin-1-yl-phenyl)pyrrol-2-yl]methylideneamino]-2-phenyl-pyrazol-3-one Openeye Name: 1,5-dimethyl-4-[[1-[3-nitro-4-(1-piperidyl)phenyl]pyrrol-2-yl]methyleneamino]-2-phenyl-pyrazol-3-one CAS Name: 1,5-dimethyl-4-[[1-[3-nitro-4-(1-piperidinyl)phenyl]-2-pyrrolyl]methylideneamino]-2-phenyl-3-pyrazolone IUPAC Name: 1,5-dimethyl-4-[[1-(3-nitro-4-piperidin-1-ylphenyl)pyrrol-2-yl]methylideneamino]-2-phenylpyrazol-3-one Traditional Name: 1,5-dimethyl-4-[[1-(3-nitro-4-piperidino-phenyl)pyrrol-2-yl]methyleneamino]-2-phenyl-3-pyrazolin-3-one Formula: C27H28N6O3 MolecularWeight: 484.54962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=CN3C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=CN3C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C27H28N6O3/c1-20-26(27(34)32(29(20)2)21-10-5-3-6-11-21)28-19-23-12-9-17-31(23)22-13-14-24(25(18-22)33(35)36)30-15-7-4-8-16-30/h3,5-6,9-14,17-19H,4,7-8,15-16H2,1-2H3