6-chloranyl-7-ethyl-4-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]chromen-2-one

Systemtic Name: 6-chloranyl-7-ethyl-4-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]chromen-2-one Openeye Name: 6-chloro-7-ethyl-4-[[4-[(3-methylisoxazol-5-yl)methyl]piperazin-1-yl]methyl]chromen-2-one CAS Name: 6-chloro-7-ethyl-4-[[4-[(3-methyl-5-isoxazolyl)methyl]-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-ethyl-4-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]chromen-2-one Traditional Name: 6-chloro-7-ethyl-4-[[4-[(3-methylisoxazol-5-yl)methyl]piperazino]methyl]coumarin Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)CC4=CC(=NO4)C)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)CC4=CC(=NO4)C)Cl

InChI

InChI=1S/C21H24ClN3O3/c1-3-15-9-20-18(11-19(15)22)16(10-21(26)27-20)12-24-4-6-25(7-5-24)13-17-8-14(2)23-28-17/h8-11H,3-7,12-13H2,1-2H3