N-[4-(1,3-benzodioxol-5-ylamino)-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-(1,3-benzodioxol-5-ylamino)-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-(1,3-benzodioxol-5-ylamino)-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-(1,3-benzodioxol-5-ylamino)-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(1,3-benzodioxol-5-ylamino)-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-(1,3-benzodioxol-5-ylamino)-4-keto-butyl]adamantane-1-carboxamide Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCCCC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCCCC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H28N2O4/c25-20(24-17-3-4-18-19(9-17)28-13-27-18)2-1-5-23-21(26)22-10-14-6-15(11-22)8-16(7-14)12-22/h3-4,9,14-16H,1-2,5-8,10-13H2,(H,23,26)(H,24,25)