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

Systemtic Name: 3-[4-[4-[4-(2-oxidanylidenechromen-3-yl)-1,3-thiazol-2-yl]piperazin-1-yl]butyl]-1H-indole-5-carbonitrile Openeye Name: 3-[4-[4-[4-(2-oxochromen-3-yl)thiazol-2-yl]piperazin-1-yl]butyl]-1H-indole-5-carbonitrile CAS Name: 3-[4-[4-[4-(2-oxo-1-benzopyran-3-yl)-2-thiazolyl]-1-piperazinyl]butyl]-1H-indole-5-carbonitrile IUPAC Name: 3-[4-[4-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]piperazin-1-yl]butyl]-1H-indole-5-carbonitrile Traditional Name: 3-[4-[4-[4-(2-ketochromen-3-yl)thiazol-2-yl]piperazino]butyl]-1H-indole-5-carbonitrile Formula: C29H27N5O2S MolecularWeight: 509.62198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=NC(=CS4)C5=CC6=CC=CC=C6OC5=O

Isomeric SMILES

C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=NC(=CS4)C5=CC6=CC=CC=C6OC5=O

InChI

InChI=1S/C29H27N5O2S/c30-17-20-8-9-25-23(15-20)22(18-31-25)6-3-4-10-33-11-13-34(14-12-33)29-32-26(19-37-29)24-16-21-5-1-2-7-27(21)36-28(24)35/h1-2,5,7-9,15-16,18-19,31H,3-4,6,10-14H2