2-(1,3-benzothiazol-2-yl)-2-[2-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-yl]ethanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-yl]ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(4-benzyl-1-piperidyl)pyrimidin-4-yl]acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinyl]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(4-benzylpiperidino)pyrimidin-4-yl]acetonitrile Formula: C25H23N5S MolecularWeight: 425.54862

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=NC=CC(=N3)C(C#N)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=NC=CC(=N3)C(C#N)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H23N5S/c26-17-20(24-28-22-8-4-5-9-23(22)31-24)21-10-13-27-25(29-21)30-14-11-19(12-15-30)16-18-6-2-1-3-7-18/h1-10,13,19-20H,11-12,14-16H2