4-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(1,3-benzothiazol-2-ylmethyl)piperazino]methyl]benzonitrile Formula: C20H20N4S MolecularWeight: 348.4646

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H20N4S/c21-13-16-5-7-17(8-6-16)14-23-9-11-24(12-10-23)15-20-22-18-3-1-2-4-19(18)25-20/h1-8H,9-12,14-15H2