2-[4-[2,3-bis(oxidanylidene)piperazin-1-yl]butoxy]benzenecarbonitrile

Systemtic Name: 2-[4-[2,3-bis(oxidanylidene)piperazin-1-yl]butoxy]benzenecarbonitrile Openeye Name: 2-[4-(2,3-dioxopiperazin-1-yl)butoxy]benzonitrile CAS Name: 2-[4-(2,3-dioxo-1-piperazinyl)butoxy]benzonitrile IUPAC Name: 2-[4-(2,3-dioxopiperazin-1-yl)butoxy]benzonitrile Traditional Name: 2-[4-(2,3-diketopiperazino)butoxy]benzonitrile Formula: C15H17N3O3 MolecularWeight: 287.31378

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(=O)N1)CCCCOC2=CC=CC=C2C#N

Isomeric SMILES

C1CN(C(=O)C(=O)N1)CCCCOC2=CC=CC=C2C#N

InChI

InChI=1S/C15H17N3O3/c16-11-12-5-1-2-6-13(12)21-10-4-3-8-18-9-7-17-14(19)15(18)20/h1-2,5-6H,3-4,7-10H2,(H,17,19)