N-[[4-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-(chroman-4-ylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[(3,4-dihydro-2H-1-benzopyran-4-ylamino)-oxomethyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-(chroman-4-ylcarbamoyl)benzyl]adamantane-1-carboxamide Formula: C28H32N2O3 MolecularWeight: 444.56528

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2C1NC(=O)C3=CC=C(C=C3)CNC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1COC2=CC=CC=C2C1NC(=O)C3=CC=C(C=C3)CNC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H32N2O3/c31-26(30-24-9-10-33-25-4-2-1-3-23(24)25)22-7-5-18(6-8-22)17-29-27(32)28-14-19-11-20(15-28)13-21(12-19)16-28/h1-8,19-21,24H,9-17H2,(H,29,32)(H,30,31)