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

Systemtic Name: 3-[4-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile Openeye Name: 3-[4-[4-[4-(4-pyridyl)thiazol-2-yl]piperazin-1-yl]butyl]-1H-indole-5-carbonitrile CAS Name: 3-[4-[4-(4-pyridin-4-yl-2-thiazolyl)-1-piperazinyl]butyl]-1H-indole-5-carbonitrile IUPAC Name: 3-[4-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile Traditional Name: 3-[4-[4-[4-(4-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=CC=NC=C5

Isomeric SMILES

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

InChI

InChI=1S/C25H26N6S/c26-16-19-4-5-23-22(15-19)21(17-28-23)3-1-2-10-30-11-13-31(14-12-30)25-29-24(18-32-25)20-6-8-27-9-7-20/h4-9,15,17-18,28H,1-3,10-14H2