4-[4,6-bis(oxidanylidene)-1,3,7,10-tetrazacyclotridec-5-yl]butanenitrile

Systemtic Name: 4-[4,6-bis(oxidanylidene)-1,3,7,10-tetrazacyclotridec-5-yl]butanenitrile Openeye Name: 4-(4,6-dioxo-1,3,7,10-tetrazacyclotridec-5-yl)butanenitrile CAS Name: 4-(4,6-dioxo-1,3,7,10-tetrazacyclotridec-5-yl)butanenitrile IUPAC Name: 4-(4,6-dioxo-1,3,7,10-tetrazacyclotridec-5-yl)butanenitrile Traditional Name: 4-(4,6-diketo-1,3,7,10-tetrazacyclotridec-5-yl)butyronitrile Formula: C13H23N5O2 MolecularWeight: 281.35402

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNC(=O)C(C(=O)NCNC1)CCCC#N

Isomeric SMILES

C1CNCCNC(=O)C(C(=O)NCNC1)CCCC#N

InChI

InChI=1S/C13H23N5O2/c14-5-2-1-4-11-12(19)17-9-8-15-6-3-7-16-10-18-13(11)20/h11,15-16H,1-4,6-10H2,(H,17,19)(H,18,20)