4-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)carbonyl-isochromen-1-one

Systemtic Name: 4-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)carbonyl-isochromen-1-one Openeye Name: 3-(4-phenylpiperazine-1-carbonyl)-4-(p-tolyl)isochromen-1-one CAS Name: 4-(4-methylphenyl)-3-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-benzopyran-1-one IUPAC Name: 4-(4-methylphenyl)-3-(4-phenylpiperazine-1-carbonyl)isochromen-1-one Traditional Name: 3-(4-phenylpiperazine-1-carbonyl)-4-(p-tolyl)isocoumarin Formula: C27H24N2O3 MolecularWeight: 424.49106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(OC(=O)C3=CC=CC=C32)C(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(OC(=O)C3=CC=CC=C32)C(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H24N2O3/c1-19-11-13-20(14-12-19)24-22-9-5-6-10-23(22)27(31)32-25(24)26(30)29-17-15-28(16-18-29)21-7-3-2-4-8-21/h2-14H,15-18H2,1H3