(2S)-2-phenyl-9-[(E)-3-phenylprop-2-enoyl]-1,5,9-triazacyclotridecan-4-one

Systemtic Name: (2S)-2-phenyl-9-[(E)-3-phenylprop-2-enoyl]-1,5,9-triazacyclotridecan-4-one Openeye Name: (2S)-2-phenyl-9-[(E)-3-phenylprop-2-enoyl]-1,5,9-triazacyclotridecan-4-one CAS Name: (2S)-9-[(E)-1-oxo-3-phenylprop-2-enyl]-2-phenyl-1,5,9-triazacyclotridecan-4-one IUPAC Name: (2S)-2-phenyl-9-[(E)-3-phenylprop-2-enoyl]-1,5,9-triazacyclotridecan-4-one Traditional Name: (2S)-2-phenyl-9-[(E)-3-phenylacryloyl]-1,5,9-triazacyclotridecan-4-one Formula: C25H31N3O2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CCCNC(=O)CC(NC1)C2=CC=CC=C2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CCN(CCCNC(=O)C[C@H](NC1)C2=CC=CC=C2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C25H31N3O2/c29-24-20-23(22-12-5-2-6-13-22)26-16-7-8-18-28(19-9-17-27-24)25(30)15-14-21-10-3-1-4-11-21/h1-6,10-15,23,26H,7-9,16-20H2,(H,27,29)/b15-14+/t23-/m0/s1