2-[2-methoxy-4-[(E)-3-[4-(2-methylpropanoyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]phenoxy]ethanenitrile

Systemtic Name: 2-[2-methoxy-4-[(E)-3-[4-(2-methylpropanoyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]phenoxy]ethanenitrile Openeye Name: 2-[2-methoxy-4-[(E)-3-[4-(2-methylpropanoyl)piperazin-1-yl]-3-oxo-prop-1-enyl]phenoxy]acetonitrile CAS Name: 2-[2-methoxy-4-[(E)-3-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-3-oxoprop-1-enyl]phenoxy]acetonitrile IUPAC Name: 2-[2-methoxy-4-[(E)-3-[4-(2-methylpropanoyl)piperazin-1-yl]-3-oxoprop-1-enyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-(4-isobutyrylpiperazino)-3-keto-prop-1-enyl]-2-methoxy-phenoxy]acetonitrile Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C(=O)C=CC2=CC(=C(C=C2)OCC#N)OC

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2)OCC#N)OC

InChI

InChI=1S/C20H25N3O4/c1-15(2)20(25)23-11-9-22(10-12-23)19(24)7-5-16-4-6-17(27-13-8-21)18(14-16)26-3/h4-7,14-15H,9-13H2,1-3H3/b7-5+