1-[4-(4-chlorophenyl)-6-naphthalen-2-ylcarbonyl-1,3-dihydro-1,2,4,5-tetrazin-2-yl]ethanone

Systemtic Name: 1-[4-(4-chlorophenyl)-6-naphthalen-2-ylcarbonyl-1,3-dihydro-1,2,4,5-tetrazin-2-yl]ethanone Openeye Name: 1-[4-(4-chlorophenyl)-6-(naphthalene-2-carbonyl)-1,3-dihydro-1,2,4,5-tetrazin-2-yl]ethanone CAS Name: 1-[4-(4-chlorophenyl)-6-[2-naphthalenyl(oxo)methyl]-1,3-dihydro-1,2,4,5-tetrazin-2-yl]ethanone IUPAC Name: 1-[4-(4-chlorophenyl)-6-(naphthalene-2-carbonyl)-1,3-dihydro-1,2,4,5-tetrazin-2-yl]ethanone Traditional Name: 1-[4-(4-chlorophenyl)-6-(2-naphthoyl)-1,3-dihydro-1,2,4,5-tetrazin-2-yl]ethanone Formula: C21H17ClN4O2 MolecularWeight: 392.83828

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CN(N=C(N1)C(=O)C2=CC3=CC=CC=C3C=C2)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(=O)N1CN(N=C(N1)C(=O)C2=CC3=CC=CC=C3C=C2)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H17ClN4O2/c1-14(27)25-13-26(19-10-8-18(22)9-11-19)24-21(23-25)20(28)17-7-6-15-4-2-3-5-16(15)12-17/h2-12H,13H2,1H3,(H,23,24)