4-[[4-[(E)-3-(4-butoxy-3-methoxy-phenyl)prop-2-enoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(E)-3-(4-butoxy-3-methoxy-phenyl)prop-2-enoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(E)-3-(4-butoxy-3-methoxy-phenyl)prop-2-enoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(E)-3-(4-butoxy-3-methoxyphenyl)-1-oxoprop-2-enyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(E)-3-(4-butoxy-3-methoxy-phenyl)acryloyl]piperazino]methyl]benzonitrile Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=CC(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C/C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)OC

InChI

InChI=1S/C26H31N3O3/c1-3-4-17-32-24-11-9-21(18-25(24)31-2)10-12-26(30)29-15-13-28(14-16-29)20-23-7-5-22(19-27)6-8-23/h5-12,18H,3-4,13-17,20H2,1-2H3/b12-10+