3-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-4-phenyl-isochromen-1-one

Systemtic Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-4-phenyl-isochromen-1-one Openeye Name: 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-4-phenyl-isochromen-1-one CAS Name: 3-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]-4-phenyl-2-benzopyran-1-one IUPAC Name: 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-4-phenylisochromen-1-one Traditional Name: 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-4-phenyl-isocoumarin Formula: C26H21ClN2O3 MolecularWeight: 444.90954

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=C(C4=CC=CC=C4C(=O)O3)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=C(C4=CC=CC=C4C(=O)O3)C5=CC=CC=C5

InChI

InChI=1S/C26H21ClN2O3/c27-19-9-6-10-20(17-19)28-13-15-29(16-14-28)25(30)24-23(18-7-2-1-3-8-18)21-11-4-5-12-22(21)26(31)32-24/h1-12,17H,13-16H2