2-[2-[6-(2-butyl-3H-benzimidazol-5-yl)-5,5-dimethyl-3-oxidanylidene-4H-pyridazin-2-yl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[2-[6-(2-butyl-3H-benzimidazol-5-yl)-5,5-dimethyl-3-oxidanylidene-4H-pyridazin-2-yl]phenyl]benzenecarbonitrile Openeye Name: 2-[2-[6-(2-butyl-3H-benzimidazol-5-yl)-5,5-dimethyl-3-oxo-4H-pyridazin-2-yl]phenyl]benzonitrile CAS Name: 2-[2-[6-(2-butyl-3H-benzimidazol-5-yl)-5,5-dimethyl-3-oxo-4H-pyridazin-2-yl]phenyl]benzonitrile IUPAC Name: 2-[2-[6-(2-butyl-3H-benzimidazol-5-yl)-5,5-dimethyl-3-oxo-4H-pyridazin-2-yl]phenyl]benzonitrile Traditional Name: 2-[2-[6-(2-butyl-3H-benzimidazol-5-yl)-3-keto-5,5-dimethyl-4H-pyridazin-2-yl]phenyl]benzonitrile Formula: C30H29N5O MolecularWeight: 475.58416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1)C=C(C=C2)C3=NN(C(=O)CC3(C)C)C4=CC=CC=C4C5=CC=CC=C5C#N

Isomeric SMILES

CCCCC1=NC2=C(N1)C=C(C=C2)C3=NN(C(=O)CC3(C)C)C4=CC=CC=C4C5=CC=CC=C5C#N

InChI

InChI=1S/C30H29N5O/c1-4-5-14-27-32-24-16-15-20(17-25(24)33-27)29-30(2,3)18-28(36)35(34-29)26-13-9-8-12-23(26)22-11-7-6-10-21(22)19-31/h6-13,15-17H,4-5,14,18H2,1-3H3,(H,32,33)