8-phenyl-13-[(E)-3-phenylprop-2-enoyl]-1,5,9,13-tetrazacycloheptadecan-6-one

Systemtic Name: 8-phenyl-13-[(E)-3-phenylprop-2-enoyl]-1,5,9,13-tetrazacycloheptadecan-6-one Openeye Name: 8-phenyl-13-[(E)-3-phenylprop-2-enoyl]-1,5,9,13-tetrazacycloheptadecan-6-one CAS Name: 13-[(E)-1-oxo-3-phenylprop-2-enyl]-8-phenyl-1,5,9,13-tetrazacycloheptadecan-6-one IUPAC Name: 8-phenyl-13-[(E)-3-phenylprop-2-enoyl]-1,5,9,13-tetrazacycloheptadecan-6-one Traditional Name: 8-phenyl-13-[(E)-3-phenylacryloyl]-1,5,9,13-tetrazacycloheptadecan-6-one Formula: C28H38N4O2 MolecularWeight: 462.62692

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CCCNC(CC(=O)NCCCNC1)C2=CC=CC=C2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CCN(CCCNC(CC(=O)NCCCNC1)C2=CC=CC=C2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C28H38N4O2/c33-27-23-26(25-13-5-2-6-14-25)30-20-10-22-32(21-8-7-17-29-18-9-19-31-27)28(34)16-15-24-11-3-1-4-12-24/h1-6,11-16,26,29-30H,7-10,17-23H2,(H,31,33)/b16-15+