4-[[4-[(E)-3-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)prop-2-enoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(E)-3-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)prop-2-enoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(E)-3-(3-chloro-4-ethoxy-5-methoxy-phenyl)prop-2-enoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-1-oxoprop-2-enyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)prop-2-enoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(E)-3-(3-chloro-4-ethoxy-5-methoxy-phenyl)acryloyl]piperazino]methyl]benzonitrile Formula: C24H26ClN3O3 MolecularWeight: 439.93454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C=CC(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)/C=C/C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)OC

InChI

InChI=1S/C24H26ClN3O3/c1-3-31-24-21(25)14-20(15-22(24)30-2)8-9-23(29)28-12-10-27(11-13-28)17-19-6-4-18(16-26)5-7-19/h4-9,14-15H,3,10-13,17H2,1-2H3/b9-8+