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

Systemtic Name: 4-[[2-(azepan-1-yl)-5-nitro-phenyl]methylideneamino]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[2-(azepan-1-yl)-5-nitro-phenyl]methyleneamino]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[2-(1-azepanyl)-5-nitrophenyl]methylideneamino]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[2-(azepan-1-yl)-5-nitrophenyl]methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[[2-(azepan-1-yl)-5-nitro-benzylidene]amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C24H27N5O3 MolecularWeight: 433.50288

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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-])N4CCCCCC4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=C(C=CC(=C3)[N+](=O)[O-])N4CCCCCC4

InChI

InChI=1S/C24H27N5O3/c1-18-23(24(30)28(26(18)2)20-10-6-5-7-11-20)25-17-19-16-21(29(31)32)12-13-22(19)27-14-8-3-4-9-15-27/h5-7,10-13,16-17H,3-4,8-9,14-15H2,1-2H3