2-[[3-[bis(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]indol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[3-[bis(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]indol-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[3-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]indol-1-yl]methyl]benzonitrile CAS Name: 2-[[3-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1-indolyl]methyl]benzonitrile IUPAC Name: 2-[[3-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]indol-1-yl]methyl]benzonitrile Traditional Name: 2-[[3-[bis(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]indol-1-yl]methyl]benzonitrile Formula: C25H22N6O2 MolecularWeight: 438.48118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4C#N)C5=C(NNC5=O)C

Isomeric SMILES

CC1=C(C(=O)NN1)C(C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4C#N)C5=C(NNC5=O)C

InChI

InChI=1S/C25H22N6O2/c1-14-21(24(32)29-27-14)23(22-15(2)28-30-25(22)33)19-13-31(20-10-6-5-9-18(19)20)12-17-8-4-3-7-16(17)11-26/h3-10,13,23H,12H2,1-2H3,(H2,27,29,32)(H2,28,30,33)