4-azanyl-1,3,5-triazacyclododec-4-en-2-one

Systemtic Name: 4-azanyl-1,3,5-triazacyclododec-4-en-2-one Openeye Name: 4-amino-1,3,5-triazacyclododec-4-en-2-one CAS Name: 4-amino-1,3,5-triazacyclododec-4-en-2-one IUPAC Name: 4-amino-1,3,5-triazacyclododec-4-en-2-one Traditional Name: 4-amino-1,3,5-triazacyclododec-4-en-2-one Formula: C9H18N4O MolecularWeight: 198.26542

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCNC(=O)NC(=NCCC1)N

Isomeric SMILES

C1CCCNC(=O)NC(=NCCC1)N

InChI

InChI=1S/C9H18N4O/c10-8-11-6-4-2-1-3-5-7-12-9(14)13-8/h1-7H2,(H4,10,11,12,13,14)