[3-(1-adamantyl)-6-(phenylcarbonyl)-1,2,4-triazin-5-yl]-phenyl-methanone

Systemtic Name: [3-(1-adamantyl)-6-(phenylcarbonyl)-1,2,4-triazin-5-yl]-phenyl-methanone Openeye Name: [3-(1-adamantyl)-6-benzoyl-1,2,4-triazin-5-yl]-phenyl-methanone CAS Name: [3-(1-adamantyl)-6-benzoyl-1,2,4-triazin-5-yl]-phenylmethanone IUPAC Name: [3-(1-adamantyl)-6-benzoyl-1,2,4-triazin-5-yl]-phenylmethanone Traditional Name: [3-(1-adamantyl)-6-benzoyl-1,2,4-triazin-5-yl]-phenyl-methanone Formula: C27H25N3O2 MolecularWeight: 423.5063

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NC(=C(N=N4)C(=O)C5=CC=CC=C5)C(=O)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NC(=C(N=N4)C(=O)C5=CC=CC=C5)C(=O)C6=CC=CC=C6

InChI

InChI=1S/C27H25N3O2/c31-24(20-7-3-1-4-8-20)22-23(25(32)21-9-5-2-6-10-21)29-30-26(28-22)27-14-17-11-18(15-27)13-19(12-17)16-27/h1-10,17-19H,11-16H2