3-[[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzamide

Systemtic Name: 3-[[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzamide Openeye Name: 3-[[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)benzamide CAS Name: 3-[[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)benzamide IUPAC Name: 3-[[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide Traditional Name: 3-[[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)benzamide Formula: C31H28BrN5O2 MolecularWeight: 582.49032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C=NC3=CC=CC(=C3)C(=O)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C=NC3=CC=CC(=C3)C(=O)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C

InChI

InChI=1S/C31H28BrN5O2/c1-20-17-24(21(2)36(20)27-15-13-25(32)14-16-27)19-33-26-10-8-9-23(18-26)30(38)34-29-22(3)35(4)37(31(29)39)28-11-6-5-7-12-28/h5-19H,1-4H3,(H,34,38)