(Z)-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]-2-pyridin-2-yl-prop-2-enenitrile

Systemtic Name: (Z)-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]-2-pyridin-2-yl-prop-2-enenitrile Openeye Name: (Z)-3-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)-2-(2-pyridyl)prop-2-enenitrile CAS Name: (Z)-3-[2,5-dimethyl-1-(2-methylpropyl)-3-pyrrolyl]-2-(2-pyridinyl)-2-propenenitrile IUPAC Name: (Z)-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]-2-pyridin-2-ylprop-2-enenitrile Traditional Name: (Z)-3-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)-2-(2-pyridyl)acrylonitrile Formula: C18H21N3 MolecularWeight: 279.37944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC(C)C)C)C=C(C#N)C2=CC=CC=N2

Isomeric SMILES

CC1=CC(=C(N1CC(C)C)C)/C=C(\C#N)/C2=CC=CC=N2

InChI

InChI=1S/C18H21N3/c1-13(2)12-21-14(3)9-16(15(21)4)10-17(11-19)18-7-5-6-8-20-18/h5-10,13H,12H2,1-4H3/b17-10+