N-[4-[[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-keto-4-[[(2S)-3-keto-2-methyl-4H-1,4-benzoxazin-6-yl]amino]butyl]adamantane-1-carboxamide Formula: C24H31N3O4 MolecularWeight: 425.52064

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@H]1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H31N3O4/c1-14-22(29)27-19-10-18(4-5-20(19)31-14)26-21(28)3-2-6-25-23(30)24-11-15-7-16(12-24)9-17(8-15)13-24/h4-5,10,14-17H,2-3,6-9,11-13H2,1H3,(H,25,30)(H,26,28)(H,27,29)/t14-,15?,16?,17?,24?/m0/s1