3-[4-(2,5-dimethylphenyl)piperazin-1-yl]carbonyl-4-phenyl-isochromen-1-one

Systemtic Name: 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]carbonyl-4-phenyl-isochromen-1-one Openeye Name: 3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-4-phenyl-isochromen-1-one CAS Name: 3-[[4-(2,5-dimethylphenyl)-1-piperazinyl]-oxomethyl]-4-phenyl-2-benzopyran-1-one IUPAC Name: 3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-4-phenylisochromen-1-one Traditional Name: 3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-4-phenyl-isocoumarin Formula: C28H26N2O3 MolecularWeight: 438.51764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=C(C4=CC=CC=C4C(=O)O3)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=C(C4=CC=CC=C4C(=O)O3)C5=CC=CC=C5

InChI

InChI=1S/C28H26N2O3/c1-19-12-13-20(2)24(18-19)29-14-16-30(17-15-29)27(31)26-25(21-8-4-3-5-9-21)22-10-6-7-11-23(22)28(32)33-26/h3-13,18H,14-17H2,1-2H3