3-[4-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile

Systemtic Name: 3-[4-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile Openeye Name: 3-[4-[4-[4-(3-pyridyl)thiazol-2-yl]piperazin-1-yl]butyl]-1H-indole-5-carbonitrile CAS Name: 3-[4-[4-[4-(3-pyridinyl)-2-thiazolyl]-1-piperazinyl]butyl]-1H-indole-5-carbonitrile IUPAC Name: 3-[4-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile Traditional Name: 3-[4-[4-[4-(3-pyridyl)thiazol-2-yl]piperazino]butyl]-1H-indole-5-carbonitrile Formula: C25H26N6S MolecularWeight: 442.57914

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=NC(=CS4)C5=CN=CC=C5

Isomeric SMILES

C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=NC(=CS4)C5=CN=CC=C5

InChI

InChI=1S/C25H26N6S/c26-15-19-6-7-23-22(14-19)20(17-28-23)4-1-2-9-30-10-12-31(13-11-30)25-29-24(18-32-25)21-5-3-8-27-16-21/h3,5-8,14,16-18,28H,1-2,4,9-13H2