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

Systemtic Name: 5-[4-[2-(6-chloranyl-1H-indol-3-yl)ethyl]piperidin-1-yl]-3H-1,4-benzodioxine-2,2-dicarbonitrile Openeye Name: 5-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]-1-piperidyl]-3H-1,4-benzodioxine-2,2-dicarbonitrile CAS Name: 5-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]-1-piperidinyl]-3H-1,4-benzodioxin-2,2-dicarbonitrile IUPAC Name: 5-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]piperidin-1-yl]-3H-1,4-benzodioxine-2,2-dicarbonitrile Traditional Name: 5-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]piperidino]-3H-1,4-benzodioxin-2,2-dicarbonitrile Formula: C25H23ClN4O2 MolecularWeight: 446.92872

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCC2=CNC3=C2C=CC(=C3)Cl)C4=C5C(=CC=C4)OC(CO5)(C#N)C#N

Isomeric SMILES

C1CN(CCC1CCC2=CNC3=C2C=CC(=C3)Cl)C4=C5C(=CC=C4)OC(CO5)(C#N)C#N

InChI

InChI=1S/C25H23ClN4O2/c26-19-6-7-20-18(13-29-21(20)12-19)5-4-17-8-10-30(11-9-17)22-2-1-3-23-24(22)31-16-25(14-27,15-28)32-23/h1-3,6-7,12-13,17,29H,4-5,8-11,16H2