5-[4-[2-(6-chloranyl-1H-indol-3-yl)ethyl]piperazin-1-yl]-3H-1,4-benzodioxine-2,2-dicarbonitrile

Systemtic Name: 5-[4-[2-(6-chloranyl-1H-indol-3-yl)ethyl]piperazin-1-yl]-3H-1,4-benzodioxine-2,2-dicarbonitrile Openeye Name: 5-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]piperazin-1-yl]-3H-1,4-benzodioxine-2,2-dicarbonitrile CAS Name: 5-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]-1-piperazinyl]-3H-1,4-benzodioxin-2,2-dicarbonitrile IUPAC Name: 5-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]piperazin-1-yl]-3H-1,4-benzodioxine-2,2-dicarbonitrile Traditional Name: 5-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]piperazino]-3H-1,4-benzodioxin-2,2-dicarbonitrile Formula: C24H22ClN5O2 MolecularWeight: 447.91678

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CNC3=C2C=CC(=C3)Cl)C4=C5C(=CC=C4)OC(CO5)(C#N)C#N

Isomeric SMILES

C1CN(CCN1CCC2=CNC3=C2C=CC(=C3)Cl)C4=C5C(=CC=C4)OC(CO5)(C#N)C#N

InChI

InChI=1S/C24H22ClN5O2/c25-18-4-5-19-17(13-28-20(19)12-18)6-7-29-8-10-30(11-9-29)21-2-1-3-22-23(21)31-16-24(14-26,15-27)32-22/h1-5,12-13,28H,6-11,16H2