2-[[[2-(1-adamantyl)-2-oxidanylidene-ethyl]-methyl-amino]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[[2-(1-adamantyl)-2-oxidanylidene-ethyl]-methyl-amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[[2-(1-adamantyl)-2-oxo-ethyl]-methyl-amino]methyl]-1H-quinazolin-4-one CAS Name: 2-[[[2-(1-adamantyl)-2-oxoethyl]-methylamino]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[[2-(1-adamantyl)-2-oxoethyl]-methylamino]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[[2-(1-adamantyl)-2-keto-ethyl]-methyl-amino]methyl]-1H-quinazolin-4-one Formula: C22H27N3O2 MolecularWeight: 365.46868

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H27N3O2/c1-25(13-20-23-18-5-3-2-4-17(18)21(27)24-20)12-19(26)22-9-14-6-15(10-22)8-16(7-14)11-22/h2-5,14-16H,6-13H2,1H3,(H,23,24,27)