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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(4-phenyl-1-piperidyl)pyrimidin-4-yl]acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(4-phenyl-1-piperidinyl)-4-pyrimidinyl]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(4-phenylpiperidino)pyrimidin-4-yl]acetonitrile Formula: C24H21N5S MolecularWeight: 411.52204

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=CC=C2)C3=NC=CC(=N3)C(C#N)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCC1C2=CC=CC=C2)C3=NC=CC(=N3)C(C#N)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H21N5S/c25-16-19(23-27-21-8-4-5-9-22(21)30-23)20-10-13-26-24(28-20)29-14-11-18(12-15-29)17-6-2-1-3-7-17/h1-10,13,18-19H,11-12,14-15H2