N'-[(1S)-2-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-1H-isoindol-1-yl]adamantane-1-carbohydrazide

Systemtic Name: N'-[(1S)-2-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-1H-isoindol-1-yl]adamantane-1-carbohydrazide Openeye Name: N'-[(1S)-2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-isoindolin-1-yl]adamantane-1-carbohydrazide CAS Name: N'-[(1S)-2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-1H-isoindol-1-yl]-1-adamantanecarbohydrazide IUPAC Name: N'-[(1S)-2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-1H-isoindol-1-yl]adamantane-1-carbohydrazide Traditional Name: N'-[(1S)-3-keto-2-piperonyl-isoindolin-1-yl]adamantane-1-carbohydrazide Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NNC4C5=CC=CC=C5C(=O)N4CC6=CC7=C(C=C6)OCO7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NN[C@H]4C5=CC=CC=C5C(=O)N4CC6=CC7=C(C=C6)OCO7

InChI

InChI=1S/C27H29N3O4/c31-25-21-4-2-1-3-20(21)24(30(25)14-16-5-6-22-23(10-16)34-15-33-22)28-29-26(32)27-11-17-7-18(12-27)9-19(8-17)13-27/h1-6,10,17-19,24,28H,7-9,11-15H2,(H,29,32)/t17?,18?,19?,24-,27?/m1/s1