4-(1,4,7,10-tetrazacyclododec-2-yl)benzenecarbonitrile

Systemtic Name: 4-(1,4,7,10-tetrazacyclododec-2-yl)benzenecarbonitrile Openeye Name: 4-(1,4,7,10-tetrazacyclododec-2-yl)benzonitrile CAS Name: 4-(1,4,7,10-tetrazacyclododec-2-yl)benzonitrile IUPAC Name: 4-(1,4,7,10-tetrazacyclododec-2-yl)benzonitrile Traditional Name: 4-(1,4,7,10-tetrazacyclododec-2-yl)benzonitrile Formula: C15H23N5 MolecularWeight: 273.37662

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNC(CNCCN1)C2=CC=C(C=C2)C#N

Isomeric SMILES

C1CNCCNC(CNCCN1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C15H23N5/c16-11-13-1-3-14(4-2-13)15-12-19-8-7-17-5-6-18-9-10-20-15/h1-4,15,17-20H,5-10,12H2