4-[(1-adamantylamino)methyl]-7-methyl-chromen-2-one

Systemtic Name: 4-[(1-adamantylamino)methyl]-7-methyl-chromen-2-one Openeye Name: 4-[(1-adamantylamino)methyl]-7-methyl-chromen-2-one CAS Name: 4-[(1-adamantylamino)methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[(1-adamantylamino)methyl]-7-methylchromen-2-one Traditional Name: 4-[(1-adamantylamino)methyl]-7-methyl-coumarin Formula: C21H25NO2 MolecularWeight: 323.4287

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CNC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CNC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H25NO2/c1-13-2-3-18-17(8-20(23)24-19(18)4-13)12-22-21-9-14-5-15(10-21)7-16(6-14)11-21/h2-4,8,14-16,22H,5-7,9-12H2,1H3