3-[4-(3-chlorophenyl)carbonylpiperazin-1-yl]carbonyl-3-methyl-4H-isochromen-1-one

Systemtic Name: 3-[4-(3-chlorophenyl)carbonylpiperazin-1-yl]carbonyl-3-methyl-4H-isochromen-1-one Openeye Name: 3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]-3-methyl-isochroman-1-one CAS Name: 3-[[4-[(3-chlorophenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-3-methyl-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]-3-methyl-4H-isochromen-1-one Traditional Name: 3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]-3-methyl-isochroman-1-one Formula: C22H21ClN2O4 MolecularWeight: 412.86614

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)N3CCN(CC3)C(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)N3CCN(CC3)C(=O)C4=CC(=CC=C4)Cl

InChI

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