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

Systemtic Name: 4-[[4-[(E)-3-(1-benzothiophen-3-yl)prop-2-enoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(E)-3-(benzothiophen-3-yl)prop-2-enoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(E)-3-(1-benzothiophen-3-yl)-1-oxoprop-2-enyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(E)-3-(1-benzothiophen-3-yl)prop-2-enoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(E)-3-(benzothiophen-3-yl)acryloyl]piperazino]methyl]benzonitrile Formula: C23H21N3OS MolecularWeight: 387.49734

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C=CC3=CSC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)/C=C/C3=CSC4=CC=CC=C43

InChI

InChI=1S/C23H21N3OS/c24-15-18-5-7-19(8-6-18)16-25-11-13-26(14-12-25)23(27)10-9-20-17-28-22-4-2-1-3-21(20)22/h1-10,17H,11-14,16H2/b10-9+