6-chloranyl-4-methyl-7-oxidanyl-3-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]chromen-2-one

Systemtic Name: 6-chloranyl-4-methyl-7-oxidanyl-3-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]chromen-2-one Openeye Name: 6-chloro-7-hydroxy-4-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]chromen-2-one CAS Name: 6-chloro-7-hydroxy-4-methyl-3-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-hydroxy-4-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]chromen-2-one Traditional Name: 6-chloro-7-hydroxy-3-[2-keto-2-(4-phenylpiperazino)ethyl]-4-methyl-coumarin Formula: C22H21ClN2O4 MolecularWeight: 412.86614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)CC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)CC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H21ClN2O4/c1-14-16-11-18(23)19(26)13-20(16)29-22(28)17(14)12-21(27)25-9-7-24(8-10-25)15-5-3-2-4-6-15/h2-6,11,13,26H,7-10,12H2,1H3