9-(furan-3-ylcarbonyl)-2-phenyl-1,5,9-triazacyclotridecan-4-one

Systemtic Name: 9-(furan-3-ylcarbonyl)-2-phenyl-1,5,9-triazacyclotridecan-4-one Openeye Name: 9-(furan-3-carbonyl)-2-phenyl-1,5,9-triazacyclotridecan-4-one CAS Name: 9-[3-furanyl(oxo)methyl]-2-phenyl-1,5,9-triazacyclotridecan-4-one IUPAC Name: 9-(furan-3-carbonyl)-2-phenyl-1,5,9-triazacyclotridecan-4-one Traditional Name: 9-(3-furoyl)-2-phenyl-1,5,9-triazacyclotridecan-4-one Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3/c25-20-15-19(17-7-2-1-3-8-17)22-10-4-5-12-24(13-6-11-23-20)21(26)18-9-14-27-16-18/h1-3,7-9,14,16,19,22H,4-6,10-13,15H2,(H,23,25)