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

Systemtic Name: (E)-2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)carbonyl-3-(4-morpholin-4-ylphenyl)prop-2-enenitrile Openeye Name: (E)-2-(2,5-dimethyl-1-propyl-pyrrole-3-carbonyl)-3-(4-morpholinophenyl)prop-2-enenitrile CAS Name: (E)-2-[(2,5-dimethyl-1-propyl-3-pyrrolyl)-oxomethyl]-3-[4-(4-morpholinyl)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(2,5-dimethyl-1-propylpyrrole-3-carbonyl)-3-(4-morpholin-4-ylphenyl)prop-2-enenitrile Traditional Name: (E)-2-(2,5-dimethyl-1-propyl-pyrrole-3-carbonyl)-3-(4-morpholinophenyl)acrylonitrile Formula: C23H27N3O2 MolecularWeight: 377.47938

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)C(=CC2=CC=C(C=C2)N3CCOCC3)C#N)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)/C(=C/C2=CC=C(C=C2)N3CCOCC3)/C#N)C

InChI

InChI=1S/C23H27N3O2/c1-4-9-26-17(2)14-22(18(26)3)23(27)20(16-24)15-19-5-7-21(8-6-19)25-10-12-28-13-11-25/h5-8,14-15H,4,9-13H2,1-3H3/b20-15+