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

Systemtic Name: 2-[2-methoxy-4-[(E)-3-oxidanylidene-3-[4-(phenylmethyl)piperazin-1-yl]prop-1-enyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-3-(4-benzylpiperazin-1-yl)-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]acetonitrile CAS Name: 2-[2-methoxy-4-[(E)-3-oxo-3-[4-(phenylmethyl)-1-piperazinyl]prop-1-enyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-3-(4-benzylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-(4-benzylpiperazino)-3-keto-prop-1-enyl]-2-methoxy-phenoxy]acetonitrile Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)N2CCN(CC2)CC3=CC=CC=C3)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)N2CCN(CC2)CC3=CC=CC=C3)OCC#N

InChI

InChI=1S/C23H25N3O3/c1-28-22-17-19(7-9-21(22)29-16-11-24)8-10-23(27)26-14-12-25(13-15-26)18-20-5-3-2-4-6-20/h2-10,17H,12-16,18H2,1H3/b10-8+