1-(7-methylidene-1,5,9-triazacyclododec-1-yl)-2-phenyl-ethanone

Systemtic Name: 1-(7-methylidene-1,5,9-triazacyclododec-1-yl)-2-phenyl-ethanone Openeye Name: 1-(7-methylene-1,5,9-triazacyclododec-1-yl)-2-phenyl-ethanone CAS Name: 1-(7-methylene-1,5,9-triazacyclododec-1-yl)-2-phenylethanone IUPAC Name: 1-(7-methylidene-1,5,9-triazacyclododec-1-yl)-2-phenylethanone Traditional Name: 1-(7-methylene-1,5,9-triazacyclododec-1-yl)-2-phenyl-ethanone Formula: C18H27N3O MolecularWeight: 301.42648

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Descriptors Computed from Structure

Canonical SMILES:

C=C1CNCCCN(CCCNC1)C(=O)CC2=CC=CC=C2

Isomeric SMILES

C=C1CNCCCN(CCCNC1)C(=O)CC2=CC=CC=C2

InChI

InChI=1S/C18H27N3O/c1-16-14-19-9-5-11-21(12-6-10-20-15-16)18(22)13-17-7-3-2-4-8-17/h2-4,7-8,19-20H,1,5-6,9-15H2