1-(6-naphthalen-2-ylcarbonyl-4-oxidanylidene-2,3,6-triazabicyclo[3.3.1]nonan-2-yl)-4-phenyl-butane-1,2-dione

Systemtic Name: 1-(6-naphthalen-2-ylcarbonyl-4-oxidanylidene-2,3,6-triazabicyclo[3.3.1]nonan-2-yl)-4-phenyl-butane-1,2-dione Openeye Name: 1-[6-(naphthalene-2-carbonyl)-4-oxo-2,3,6-triazabicyclo[3.3.1]nonan-2-yl]-4-phenyl-butane-1,2-dione CAS Name: 1-[6-[2-naphthalenyl(oxo)methyl]-4-oxo-2,3,6-triazabicyclo[3.3.1]nonan-2-yl]-4-phenylbutane-1,2-dione IUPAC Name: 1-[6-(naphthalene-2-carbonyl)-4-oxo-2,3,6-triazabicyclo[3.3.1]nonan-2-yl]-4-phenylbutane-1,2-dione Traditional Name: 1-[4-keto-6-(2-naphthoyl)-2,3,6-triazabicyclo[3.3.1]nonan-2-yl]-4-phenyl-butane-1,2-dione Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2CC1N(NC2=O)C(=O)C(=O)CCC3=CC=CC=C3)C(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(C2CC1N(NC2=O)C(=O)C(=O)CCC3=CC=CC=C3)C(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H25N3O4/c31-24(13-10-18-6-2-1-3-7-18)27(34)30-22-14-15-29(23(17-22)25(32)28-30)26(33)21-12-11-19-8-4-5-9-20(19)16-21/h1-9,11-12,16,22-23H,10,13-15,17H2,(H,28,32)