(4S,12Z)-4-phenyl-9-[(E)-3-phenylprop-2-enoyl]-1,5,9-triazacyclotridec-12-en-2-one

Systemtic Name: (4S,12Z)-4-phenyl-9-[(E)-3-phenylprop-2-enoyl]-1,5,9-triazacyclotridec-12-en-2-one Openeye Name: (4S,12Z)-4-phenyl-9-[(E)-3-phenylprop-2-enoyl]-1,5,9-triazacyclotridec-12-en-2-one CAS Name: (4S,12Z)-9-[(E)-1-oxo-3-phenylprop-2-enyl]-4-phenyl-1,5,9-triazacyclotridec-12-en-2-one IUPAC Name: (4S,12Z)-4-phenyl-9-[(E)-3-phenylprop-2-enoyl]-1,5,9-triazacyclotridec-12-en-2-one Traditional Name: (4S,12Z)-4-phenyl-9-[(E)-3-phenylacryloyl]-1,5,9-triazacyclotridec-12-en-2-one Formula: C25H29N3O2 MolecularWeight: 403.51666

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(CC(=O)NC=CCCN(C1)C(=O)C=CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C1CN[C@@H](CC(=O)N/C=C\CCN(C1)C(=O)/C=C/C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H29N3O2/c29-24-20-23(22-12-5-2-6-13-22)26-17-9-19-28(18-8-7-16-27-24)25(30)15-14-21-10-3-1-4-11-21/h1-7,10-16,23,26H,8-9,17-20H2,(H,27,29)/b15-14+,16-7-/t23-/m0/s1