(3R)-N'-[2-(1-adamantyl)ethanoyl]-6-chloranyl-3,4-dihydro-2H-chromene-3-carbohydrazide

Systemtic Name: (3R)-N'-[2-(1-adamantyl)ethanoyl]-6-chloranyl-3,4-dihydro-2H-chromene-3-carbohydrazide Openeye Name: (3R)-N'-[2-(1-adamantyl)acetyl]-6-chloro-chromane-3-carbohydrazide CAS Name: (3R)-N'-[2-(1-adamantyl)-1-oxoethyl]-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carbohydrazide IUPAC Name: (3R)-N'-[2-(1-adamantyl)acetyl]-6-chloro-3,4-dihydro-2H-chromene-3-carbohydrazide Traditional Name: (3R)-N'-[2-(1-adamantyl)acetyl]-6-chloro-chroman-3-carbohydrazide Formula: C22H27ClN2O3 MolecularWeight: 402.91438

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NNC(=O)C4CC5=C(C=CC(=C5)Cl)OC4

Isomeric SMILES

C1[C@H](COC2=C1C=C(C=C2)Cl)C(=O)NNC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H27ClN2O3/c23-18-1-2-19-16(7-18)6-17(12-28-19)21(27)25-24-20(26)11-22-8-13-3-14(9-22)5-15(4-13)10-22/h1-2,7,13-15,17H,3-6,8-12H2,(H,24,26)(H,25,27)/t13?,14?,15?,17-,22?/m1/s1