3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonyl-8-ethoxy-chromen-2-one

Systemtic Name: 3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonyl-8-ethoxy-chromen-2-one Openeye Name: 3-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]-8-ethoxy-chromen-2-one CAS Name: 3-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-oxomethyl]-8-ethoxy-1-benzopyran-2-one IUPAC Name: 3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-8-ethoxychromen-2-one Traditional Name: 3-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]-8-ethoxy-coumarin Formula: C23H23ClN2O4 MolecularWeight: 426.89272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CCN(CC3)C4=C(C=CC(=C4)Cl)C

Isomeric SMILES

CCOC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CCN(CC3)C4=C(C=CC(=C4)Cl)C

InChI

InChI=1S/C23H23ClN2O4/c1-3-29-20-6-4-5-16-13-18(23(28)30-21(16)20)22(27)26-11-9-25(10-12-26)19-14-17(24)8-7-15(19)2/h4-8,13-14H,3,9-12H2,1-2H3