N-[(2S)-3-methyl-1-[2-[(3-methyl-1-benzofuran-2-yl)carbonyl]hydrazinyl]-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-3-methyl-1-[2-[(3-methyl-1-benzofuran-2-yl)carbonyl]hydrazinyl]-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-2-methyl-1-[[(3-methylbenzofuran-2-carbonyl)amino]carbamoyl]propyl]adamantane-1-carboxamide CAS Name: N-[(2S)-3-methyl-1-[[(3-methyl-2-benzofuranyl)-oxomethyl]hydrazo]-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-3-methyl-1-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-2-methyl-1-[[(3-methylbenzofuran-2-carbonyl)amino]carbamoyl]propyl]adamantane-1-carboxamide Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NNC(=O)C(C(C)C)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NNC(=O)[C@H](C(C)C)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H33N3O4/c1-14(2)21(27-25(32)26-11-16-8-17(12-26)10-18(9-16)13-26)23(30)28-29-24(31)22-15(3)19-6-4-5-7-20(19)33-22/h4-7,14,16-18,21H,8-13H2,1-3H3,(H,27,32)(H,28,30)(H,29,31)/t16?,17?,18?,21-,26?/m0/s1