6-[2-[(1-adamantylcarbonylamino)methyl]-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide

Systemtic Name: 6-[2-[(1-adamantylcarbonylamino)methyl]-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide Openeye Name: 6-[2-[(adamantane-1-carbonylamino)methyl]-5-methyl-2,3-dihydrobenzofuran-7-yl]pyridine-3-carboxamide CAS Name: 6-[2-[[[1-adamantyl(oxo)methyl]amino]methyl]-5-methyl-2,3-dihydrobenzofuran-7-yl]-3-pyridinecarboxamide IUPAC Name: 6-[2-[(adamantane-1-carbonylamino)methyl]-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide Traditional Name: 6-[2-[(adamantane-1-carbonylamino)methyl]-5-methyl-coumaran-7-yl]nicotinamide Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)C3=NC=C(C=C3)C(=O)N)OC(C2)CNC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC2=C(C(=C1)C3=NC=C(C=C3)C(=O)N)OC(C2)CNC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H31N3O3/c1-15-4-20-9-21(33-24(20)22(5-15)23-3-2-19(13-29-23)25(28)31)14-30-26(32)27-10-16-6-17(11-27)8-18(7-16)12-27/h2-5,13,16-18,21H,6-12,14H2,1H3,(H2,28,31)(H,30,32)