3-[3-(4-bromophenyl)-4-[(Z)-(3-methylidene-5-oxidanylidene-1-phenyl-pyrazolidin-4-ylidene)methyl]pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[3-(4-bromophenyl)-4-[(Z)-(3-methylidene-5-oxidanylidene-1-phenyl-pyrazolidin-4-ylidene)methyl]pyrazol-1-yl]propanenitrile Openeye Name: 3-[3-(4-bromophenyl)-4-[(Z)-(3-methylene-5-oxo-1-phenyl-pyrazolidin-4-ylidene)methyl]pyrazol-1-yl]propanenitrile CAS Name: 3-[3-(4-bromophenyl)-4-[(Z)-(3-methylene-5-oxo-1-phenyl-4-pyrazolidinylidene)methyl]-1-pyrazolyl]propanenitrile IUPAC Name: 3-[3-(4-bromophenyl)-4-[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]pyrazol-1-yl]propanenitrile Traditional Name: 3-[3-(4-bromophenyl)-4-[(Z)-(5-keto-3-methylene-1-phenyl-pyrazolidin-4-ylidene)methyl]pyrazol-1-yl]propionitrile Formula: C23H18BrN5O MolecularWeight: 460.32592

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(=CC2=CN(N=C2C3=CC=C(C=C3)Br)CCC#N)C(=O)N(N1)C4=CC=CC=C4

Isomeric SMILES

C=C1/C(=C/C2=CN(N=C2C3=CC=C(C=C3)Br)CCC#N)/C(=O)N(N1)C4=CC=CC=C4

InChI

InChI=1S/C23H18BrN5O/c1-16-21(23(30)29(26-16)20-6-3-2-4-7-20)14-18-15-28(13-5-12-25)27-22(18)17-8-10-19(24)11-9-17/h2-4,6-11,14-15,26H,1,5,13H2/b21-14-