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

Systemtic Name: 4-[[4-[(E)-3-(3-methoxy-4-propan-2-yloxy-phenyl)prop-2-enoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(E)-3-(4-isopropoxy-3-methoxy-phenyl)prop-2-enoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-1-oxoprop-2-enyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(E)-3-(4-isopropoxy-3-methoxy-phenyl)acryloyl]piperazino]methyl]benzonitrile Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C=CC(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)/C=C/C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)OC

InChI

InChI=1S/C25H29N3O3/c1-19(2)31-23-10-8-20(16-24(23)30-3)9-11-25(29)28-14-12-27(13-15-28)18-22-6-4-21(17-26)5-7-22/h4-11,16,19H,12-15,18H2,1-3H3/b11-9+