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

Systemtic Name: 4-(4-methylphenyl)-3-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-isochromen-1-one Openeye Name: 3-[4-(4-nitrophenyl)piperazine-1-carbonyl]-4-(p-tolyl)isochromen-1-one CAS Name: 4-(4-methylphenyl)-3-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-2-benzopyran-1-one IUPAC Name: 4-(4-methylphenyl)-3-[4-(4-nitrophenyl)piperazine-1-carbonyl]isochromen-1-one Traditional Name: 3-[4-(4-nitrophenyl)piperazine-1-carbonyl]-4-(p-tolyl)isocoumarin Formula: C27H23N3O5 MolecularWeight: 469.48862

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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=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(OC(=O)C3=CC=CC=C32)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H23N3O5/c1-18-6-8-19(9-7-18)24-22-4-2-3-5-23(22)27(32)35-25(24)26(31)29-16-14-28(15-17-29)20-10-12-21(13-11-20)30(33)34/h2-13H,14-17H2,1H3