3-[2-[4-(4-oxidanylidenechromen-6-yl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile

Systemtic Name: 3-[2-[4-(4-oxidanylidenechromen-6-yl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile Openeye Name: 3-[2-[4-(4-oxochromen-6-yl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile CAS Name: 3-[2-[4-(4-oxo-1-benzopyran-6-yl)-1-piperazinyl]ethyl]-1H-indole-5-carbonitrile IUPAC Name: 3-[2-[4-(4-oxochromen-6-yl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile Traditional Name: 3-[2-[4-(4-ketochromen-6-yl)piperazino]ethyl]-1H-indole-5-carbonitrile Formula: C24H22N4O2 MolecularWeight: 398.45708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=C(C=C4)OC=CC5=O

Isomeric SMILES

C1CN(CCN1CCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=C(C=C4)OC=CC5=O

InChI

InChI=1S/C24H22N4O2/c25-15-17-1-3-22-20(13-17)18(16-26-22)5-7-27-8-10-28(11-9-27)19-2-4-24-21(14-19)23(29)6-12-30-24/h1-4,6,12-14,16,26H,5,7-11H2