N-[4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)carbamoyl]phenyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)carbamoyl]phenyl]adamantane-1-carboxamide Openeye Name: N-[4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)carbamoyl]phenyl]adamantane-1-carboxamide CAS Name: N-[4-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-oxomethyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)carbamoyl]phenyl]adamantane-1-carboxamide Traditional Name: N-[4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)carbamoyl]phenyl]adamantane-1-carboxamide Formula: C28H32N2O4 MolecularWeight: 460.56468

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCCO2)C(=O)C3=CC=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCCO2)C(=O)C3=CC=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H32N2O4/c1-30(17-18-2-7-24-25(13-18)34-9-8-33-24)26(31)22-3-5-23(6-4-22)29-27(32)28-14-19-10-20(15-28)12-21(11-19)16-28/h2-7,13,19-21H,8-12,14-17H2,1H3,(H,29,32)