(E)-2-cyano-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[1-(phenylmethyl)indol-3-yl]prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[1-(phenylmethyl)indol-3-yl]prop-2-enamide Openeye Name: (E)-3-(1-benzylindol-3-yl)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)prop-2-enamide CAS Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[1-(phenylmethyl)-3-indolyl]-2-propenamide IUPAC Name: (E)-3-(1-benzylindol-3-yl)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-3-(1-benzylindol-3-yl)-2-cyano-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acrylamide Formula: C30H25N5O2 MolecularWeight: 487.5518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(=CC3=CN(C4=CC=CC=C43)CC5=CC=CC=C5)C#N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)/C(=C/C3=CN(C4=CC=CC=C43)CC5=CC=CC=C5)/C#N

InChI

InChI=1S/C30H25N5O2/c1-21-28(30(37)35(33(21)2)25-13-7-4-8-14-25)32-29(36)23(18-31)17-24-20-34(19-22-11-5-3-6-12-22)27-16-10-9-15-26(24)27/h3-17,20H,19H2,1-2H3,(H,32,36)/b23-17+