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

Systemtic Name: 2-[2-methoxy-4-[(E)-3-oxidanylidene-3-[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-yl]prop-1-enyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-3-[4-(4-isopropylbenzoyl)piperazin-1-yl]-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]acetonitrile CAS Name: 2-[2-methoxy-4-[(E)-3-oxo-3-[4-[oxo-(4-propan-2-ylphenyl)methyl]-1-piperazinyl]prop-1-enyl]phenoxy]acetonitrile IUPAC Name: 2-[2-methoxy-4-[(E)-3-oxo-3-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]prop-1-enyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-(4-cumoylpiperazino)-3-keto-prop-1-enyl]-2-methoxy-phenoxy]acetonitrile Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O4/c1-19(2)21-6-8-22(9-7-21)26(31)29-15-13-28(14-16-29)25(30)11-5-20-4-10-23(33-17-12-27)24(18-20)32-3/h4-11,18-19H,13-17H2,1-3H3/b11-5+