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

Systemtic Name: 3-[4-[4-(2-oxidanylidenechromen-4-yl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile Openeye Name: 3-[4-[4-(2-oxochromen-4-yl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile CAS Name: 3-[4-[4-(2-oxo-1-benzopyran-4-yl)-1-piperazinyl]butyl]-1H-indole-5-carbonitrile IUPAC Name: 3-[4-[4-(2-oxochromen-4-yl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile Traditional Name: 3-[4-[4-(2-ketochromen-4-yl)piperazino]butyl]-1H-indole-5-carbonitrile Formula: C26H26N4O2 MolecularWeight: 426.51024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC(=O)OC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC(=O)OC5=CC=CC=C54

InChI

InChI=1S/C26H26N4O2/c27-17-19-8-9-23-22(15-19)20(18-28-23)5-3-4-10-29-11-13-30(14-12-29)24-16-26(31)32-25-7-2-1-6-21(24)25/h1-2,6-9,15-16,18,28H,3-5,10-14H2