2-[(E)-3-oxidanylidene-3-[4-(phenylmethyl)piperazin-1-yl]prop-1-enyl]-1-benzofuran-5-carbonitrile

Systemtic Name: 2-[(E)-3-oxidanylidene-3-[4-(phenylmethyl)piperazin-1-yl]prop-1-enyl]-1-benzofuran-5-carbonitrile Openeye Name: 2-[(E)-3-(4-benzylpiperazin-1-yl)-3-oxo-prop-1-enyl]benzofuran-5-carbonitrile CAS Name: 2-[(E)-3-oxo-3-[4-(phenylmethyl)-1-piperazinyl]prop-1-enyl]-5-benzofurancarbonitrile IUPAC Name: 2-[(E)-3-(4-benzylpiperazin-1-yl)-3-oxoprop-1-enyl]-1-benzofuran-5-carbonitrile Traditional Name: 2-[(E)-3-(4-benzylpiperazino)-3-keto-prop-1-enyl]benzofuran-5-carbonitrile Formula: C23H21N3O2 MolecularWeight: 371.43174

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C=CC3=CC4=C(O3)C=CC(=C4)C#N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)/C=C/C3=CC4=C(O3)C=CC(=C4)C#N

InChI

InChI=1S/C23H21N3O2/c24-16-19-6-8-22-20(14-19)15-21(28-22)7-9-23(27)26-12-10-25(11-13-26)17-18-4-2-1-3-5-18/h1-9,14-15H,10-13,17H2/b9-7+