3-[4-(3-methoxyphenyl)piperazin-1-yl]carbonyl-4-(4-methylphenyl)isochromen-1-one

Systemtic Name: 3-[4-(3-methoxyphenyl)piperazin-1-yl]carbonyl-4-(4-methylphenyl)isochromen-1-one Openeye Name: 3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-4-(p-tolyl)isochromen-1-one CAS Name: 3-[[4-(3-methoxyphenyl)-1-piperazinyl]-oxomethyl]-4-(4-methylphenyl)-2-benzopyran-1-one IUPAC Name: 3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-4-(4-methylphenyl)isochromen-1-one Traditional Name: 3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-4-(p-tolyl)isocoumarin Formula: C28H26N2O4 MolecularWeight: 454.51704

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H26N2O4/c1-19-10-12-20(13-11-19)25-23-8-3-4-9-24(23)28(32)34-26(25)27(31)30-16-14-29(15-17-30)21-6-5-7-22(18-21)33-2/h3-13,18H,14-17H2,1-2H3