4-[(1-adamantylamino)methyl]-6-chloranyl-7-methyl-chromen-2-one

Systemtic Name: 4-[(1-adamantylamino)methyl]-6-chloranyl-7-methyl-chromen-2-one Openeye Name: 4-[(1-adamantylamino)methyl]-6-chloro-7-methyl-chromen-2-one CAS Name: 4-[(1-adamantylamino)methyl]-6-chloro-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[(1-adamantylamino)methyl]-6-chloro-7-methylchromen-2-one Traditional Name: 4-[(1-adamantylamino)methyl]-6-chloro-7-methyl-coumarin Formula: C21H24ClNO2 MolecularWeight: 357.87376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CNC34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CNC34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C21H24ClNO2/c1-12-2-19-17(7-18(12)22)16(6-20(24)25-19)11-23-21-8-13-3-14(9-21)5-15(4-13)10-21/h2,6-7,13-15,23H,3-5,8-11H2,1H3