6-[4-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]phenyl]-5-phenyl-pyridine-3-carbonitrile

Systemtic Name: 6-[4-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]phenyl]-5-phenyl-pyridine-3-carbonitrile Openeye Name: 6-[4-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]phenyl]-5-phenyl-pyridine-3-carbonitrile CAS Name: 6-[4-[[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]methyl]phenyl]-5-phenyl-3-pyridinecarbonitrile IUPAC Name: 6-[4-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile Traditional Name: 6-[4-[[4-(1,2-benzothiazol-3-yl)piperazino]methyl]phenyl]-5-phenyl-nicotinonitrile Formula: C30H25N5S MolecularWeight: 487.618

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C3=C(C=C(C=N3)C#N)C4=CC=CC=C4)C5=NSC6=CC=CC=C65

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C3=C(C=C(C=N3)C#N)C4=CC=CC=C4)C5=NSC6=CC=CC=C65

InChI

InChI=1S/C30H25N5S/c31-19-23-18-27(24-6-2-1-3-7-24)29(32-20-23)25-12-10-22(11-13-25)21-34-14-16-35(17-15-34)30-26-8-4-5-9-28(26)36-33-30/h1-13,18,20H,14-17,21H2