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

Systemtic Name: 3-[4-[4-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile Openeye Name: 3-[4-[4-[4-(2-pyridyl)thiazol-2-yl]piperazin-1-yl]butyl]-1H-indole-5-carbonitrile CAS Name: 3-[4-[4-[4-(2-pyridinyl)-2-thiazolyl]-1-piperazinyl]butyl]-1H-indole-5-carbonitrile IUPAC Name: 3-[4-[4-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile Traditional Name: 3-[4-[4-[4-(2-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=CC=N5

Isomeric SMILES

C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=NC(=CS4)C5=CC=CC=N5

InChI

InChI=1S/C25H26N6S/c26-16-19-7-8-22-21(15-19)20(17-28-22)5-2-4-10-30-11-13-31(14-12-30)25-29-24(18-32-25)23-6-1-3-9-27-23/h1,3,6-9,15,17-18,28H,2,4-5,10-14H2