N-[3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-3-oxidanylidene-propyl]adamantane-1-carboxamide

Systemtic Name: N-[3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-3-oxidanylidene-propyl]adamantane-1-carboxamide Openeye Name: N-[3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-3-oxo-propyl]adamantane-1-carboxamide CAS Name: N-[3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-3-oxopropyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-3-oxopropyl]adamantane-1-carboxamide Traditional Name: N-[3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-3-keto-propyl]adamantane-1-carboxamide Formula: C22H27BrN2O4 MolecularWeight: 463.36478

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H27BrN2O4/c23-16-8-18-19(29-4-3-28-18)9-17(16)25-20(26)1-2-24-21(27)22-10-13-5-14(11-22)7-15(6-13)12-22/h8-9,13-15H,1-7,10-12H2,(H,24,27)(H,25,26)