4-[5,7-bis(oxidanylidene)-1,4,8,11-tetrazacyclotetradec-6-yl]butanenitrile

Systemtic Name: 4-[5,7-bis(oxidanylidene)-1,4,8,11-tetrazacyclotetradec-6-yl]butanenitrile Openeye Name: 4-(5,7-dioxo-1,4,8,11-tetrazacyclotetradec-6-yl)butanenitrile CAS Name: 4-(5,7-dioxo-1,4,8,11-tetrazacyclotetradec-6-yl)butanenitrile IUPAC Name: 4-(5,7-dioxo-1,4,8,11-tetrazacyclotetradec-6-yl)butanenitrile Traditional Name: 4-(5,7-diketo-1,4,8,11-tetrazacyclotetradec-6-yl)butyronitrile Formula: C14H25N5O2 MolecularWeight: 295.3806

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNC(=O)C(C(=O)NCCNC1)CCCC#N

Isomeric SMILES

C1CNCCNC(=O)C(C(=O)NCCNC1)CCCC#N

InChI

InChI=1S/C14H25N5O2/c15-5-2-1-4-12-13(20)18-10-8-16-6-3-7-17-9-11-19-14(12)21/h12,16-17H,1-4,6-11H2,(H,18,20)(H,19,21)