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

Systemtic Name: 2-[4-[(E)-3-(4-cyclopropylcarbonylpiperazin-1-yl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]acetonitrile CAS Name: 2-[4-[(E)-3-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-[4-(cyclopropanecarbonyl)piperazino]-3-keto-prop-1-enyl]-2-methoxy-phenoxy]acetonitrile Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)N2CCN(CC2)C(=O)C3CC3)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)N2CCN(CC2)C(=O)C3CC3)OCC#N

InChI

InChI=1S/C20H23N3O4/c1-26-18-14-15(2-6-17(18)27-13-8-21)3-7-19(24)22-9-11-23(12-10-22)20(25)16-4-5-16/h2-3,6-7,14,16H,4-5,9-13H2,1H3/b7-3+