(E)-2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)carbonyl-3-pyridin-4-yl-prop-2-enenitrile

Systemtic Name: (E)-2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)carbonyl-3-pyridin-4-yl-prop-2-enenitrile Openeye Name: (E)-2-(2,5-dimethyl-1-propyl-pyrrole-3-carbonyl)-3-(4-pyridyl)prop-2-enenitrile CAS Name: (E)-2-[(2,5-dimethyl-1-propyl-3-pyrrolyl)-oxomethyl]-3-pyridin-4-yl-2-propenenitrile IUPAC Name: (E)-2-(2,5-dimethyl-1-propylpyrrole-3-carbonyl)-3-pyridin-4-ylprop-2-enenitrile Traditional Name: (E)-2-(2,5-dimethyl-1-propyl-pyrrole-3-carbonyl)-3-(4-pyridyl)acrylonitrile Formula: C18H19N3O MolecularWeight: 293.36296

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)C(=CC2=CC=NC=C2)C#N)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)/C(=C/C2=CC=NC=C2)/C#N)C

InChI

InChI=1S/C18H19N3O/c1-4-9-21-13(2)10-17(14(21)3)18(22)16(12-19)11-15-5-7-20-8-6-15/h5-8,10-11H,4,9H2,1-3H3/b16-11+