2-[[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]methylidene]-3-oxidanylidene-butanenitrile

Systemtic Name: 2-[[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]methylidene]-3-oxidanylidene-butanenitrile Openeye Name: 2-[(1-benzyl-2,5-dimethyl-pyrrol-3-yl)methylene]-3-oxo-butanenitrile CAS Name: 2-[[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]methylidene]-3-oxobutanenitrile IUPAC Name: 2-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-oxobutanenitrile Traditional Name: 2-acetyl-3-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)acrylonitrile Formula: C18H18N2O MolecularWeight: 278.34832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C=C(C#N)C(=O)C

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C=C(C#N)C(=O)C

InChI

InChI=1S/C18H18N2O/c1-13-9-17(10-18(11-19)15(3)21)14(2)20(13)12-16-7-5-4-6-8-16/h4-10H,12H2,1-3H3