2-azanyl-3-[3-[2,3-bis(oxidanylidene)piperazin-1-yl]propyl]benzenecarbonitrile

Systemtic Name: 2-azanyl-3-[3-[2,3-bis(oxidanylidene)piperazin-1-yl]propyl]benzenecarbonitrile Openeye Name: 2-amino-3-[3-(2,3-dioxopiperazin-1-yl)propyl]benzonitrile CAS Name: 2-amino-3-[3-(2,3-dioxo-1-piperazinyl)propyl]benzonitrile IUPAC Name: 2-amino-3-[3-(2,3-dioxopiperazin-1-yl)propyl]benzonitrile Traditional Name: 2-amino-3-[3-(2,3-diketopiperazino)propyl]benzonitrile Formula: C14H16N4O2 MolecularWeight: 272.30244

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(=O)N1)CCCC2=CC=CC(=C2N)C#N

Isomeric SMILES

C1CN(C(=O)C(=O)N1)CCCC2=CC=CC(=C2N)C#N

InChI

InChI=1S/C14H16N4O2/c15-9-11-4-1-3-10(12(11)16)5-2-7-18-8-6-17-13(19)14(18)20/h1,3-4H,2,5-8,16H2,(H,17,19)