N-(1-adamantylmethyl)-5-bromanyl-3-methyl-1-benzofuran-2-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-5-bromanyl-3-methyl-1-benzofuran-2-carboxamide Openeye Name: N-(1-adamantylmethyl)-5-bromo-3-methyl-benzofuran-2-carboxamide CAS Name: N-(1-adamantylmethyl)-5-bromo-3-methyl-2-benzofurancarboxamide IUPAC Name: N-(1-adamantylmethyl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide Traditional Name: N-(1-adamantylmethyl)-5-bromo-3-methyl-coumarilamide Formula: C21H24BrNO2 MolecularWeight: 402.32476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H24BrNO2/c1-12-17-7-16(22)2-3-18(17)25-19(12)20(24)23-11-21-8-13-4-14(9-21)6-15(5-13)10-21/h2-3,7,13-15H,4-6,8-11H2,1H3,(H,23,24)