3-[[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]carbonylphenyl]methyl]-1H-quinazoline-2,4-dione

Systemtic Name: 3-[[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]carbonylphenyl]methyl]-1H-quinazoline-2,4-dione Openeye Name: 3-[[4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]methyl]-1H-quinazoline-2,4-dione CAS Name: 3-[[4-[[4-(2,5-dimethylphenyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]-1H-quinazoline-2,4-dione IUPAC Name: 3-[[4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]methyl]-1H-quinazoline-2,4-dione Traditional Name: 3-[4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]benzyl]-1H-quinazoline-2,4-quinone Formula: C28H28N4O3 MolecularWeight: 468.54692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=CC=CC=C5NC4=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=CC=CC=C5NC4=O

InChI

InChI=1S/C28H28N4O3/c1-19-7-8-20(2)25(17-19)30-13-15-31(16-14-30)26(33)22-11-9-21(10-12-22)18-32-27(34)23-5-3-4-6-24(23)29-28(32)35/h3-12,17H,13-16,18H2,1-2H3,(H,29,35)