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

Systemtic Name: 4-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)carbonyl-isochromen-1-one Openeye Name: 3-(4-methylpiperazine-1-carbonyl)-4-(p-tolyl)isochromen-1-one CAS Name: 4-(4-methylphenyl)-3-[(4-methyl-1-piperazinyl)-oxomethyl]-2-benzopyran-1-one IUPAC Name: 4-(4-methylphenyl)-3-(4-methylpiperazine-1-carbonyl)isochromen-1-one Traditional Name: 3-(4-methylpiperazine-1-carbonyl)-4-(p-tolyl)isocoumarin Formula: C22H22N2O3 MolecularWeight: 362.42168

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O3/c1-15-7-9-16(10-8-15)19-17-5-3-4-6-18(17)22(26)27-20(19)21(25)24-13-11-23(2)12-14-24/h3-10H,11-14H2,1-2H3