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

Systemtic Name: 4-[[4-[(E)-3-(3-chloranyl-5-methoxy-4-propoxy-phenyl)prop-2-enoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(E)-3-(3-chloro-5-methoxy-4-propoxy-phenyl)prop-2-enoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)-1-oxoprop-2-enyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)prop-2-enoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(E)-3-(3-chloro-5-methoxy-4-propoxy-phenyl)acryloyl]piperazino]methyl]benzonitrile Formula: C25H28ClN3O3 MolecularWeight: 453.96112

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C=CC(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)/C=C/C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)OC

InChI

InChI=1S/C25H28ClN3O3/c1-3-14-32-25-22(26)15-21(16-23(25)31-2)8-9-24(30)29-12-10-28(11-13-29)18-20-6-4-19(17-27)5-7-20/h4-9,15-16H,3,10-14,18H2,1-2H3/b9-8+