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

Systemtic Name: 2,5-dimethyl-4-[[5-nitro-2-(4-phenylpiperidin-1-yl)phenyl]methylideneamino]-1-phenyl-pyrazol-3-one Openeye Name: 2,5-dimethyl-4-[[5-nitro-2-(4-phenyl-1-piperidyl)phenyl]methyleneamino]-1-phenyl-pyrazol-3-one CAS Name: 2,5-dimethyl-4-[[5-nitro-2-(4-phenyl-1-piperidinyl)phenyl]methylideneamino]-1-phenyl-3-pyrazolone IUPAC Name: 2,5-dimethyl-4-[[5-nitro-2-(4-phenylpiperidin-1-yl)phenyl]methylideneamino]-1-phenylpyrazol-3-one Traditional Name: 2,5-dimethyl-4-[[5-nitro-2-(4-phenylpiperidino)benzylidene]amino]-1-phenyl-3-pyrazolin-3-one Formula: C29H29N5O3 MolecularWeight: 495.57226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C2=CC=CC=C2)C)N=CC3=C(C=CC(=C3)[N+](=O)[O-])N4CCC(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)N(N1C2=CC=CC=C2)C)N=CC3=C(C=CC(=C3)[N+](=O)[O-])N4CCC(CC4)C5=CC=CC=C5

InChI

InChI=1S/C29H29N5O3/c1-21-28(29(35)31(2)33(21)25-11-7-4-8-12-25)30-20-24-19-26(34(36)37)13-14-27(24)32-17-15-23(16-18-32)22-9-5-3-6-10-22/h3-14,19-20,23H,15-18H2,1-2H3