3-methylidene-9-(phenylmethyl)-1,5,9-triazacyclododecane-1-carbaldehyde

Systemtic Name: 3-methylidene-9-(phenylmethyl)-1,5,9-triazacyclododecane-1-carbaldehyde Openeye Name: 9-benzyl-3-methylene-1,5,9-triazacyclododecane-1-carbaldehyde CAS Name: 3-methylene-9-(phenylmethyl)-1,5,9-triazacyclododecane-1-carboxaldehyde IUPAC Name: 9-benzyl-3-methylidene-1,5,9-triazacyclododecane-1-carbaldehyde Traditional Name: 9-benzyl-3-methylene-1,5,9-triazacyclododecane-1-carbaldehyde Formula: C18H27N3O MolecularWeight: 301.42648

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Descriptors Computed from Structure

Canonical SMILES:

C=C1CNCCCN(CCCN(C1)C=O)CC2=CC=CC=C2

Isomeric SMILES

C=C1CNCCCN(CCCN(C1)C=O)CC2=CC=CC=C2

InChI

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