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

Systemtic Name: 3-[5-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-oxidanylidene-pentyl]-1H-quinazoline-2,4-dione Openeye Name: 3-[5-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-oxo-pentyl]-1H-quinazoline-2,4-dione CAS Name: 3-[5-[4-(2,5-dimethylphenyl)-1-piperazinyl]-5-oxopentyl]-1H-quinazoline-2,4-dione IUPAC Name: 3-[5-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-oxopentyl]-1H-quinazoline-2,4-dione Traditional Name: 3-[5-[4-(2,5-dimethylphenyl)piperazino]-5-keto-pentyl]-1H-quinazoline-2,4-quinone Formula: C25H30N4O3 MolecularWeight: 434.5307

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)CCCCN3C(=O)C4=CC=CC=C4NC3=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)CCCCN3C(=O)C4=CC=CC=C4NC3=O

InChI

InChI=1S/C25H30N4O3/c1-18-10-11-19(2)22(17-18)27-13-15-28(16-14-27)23(30)9-5-6-12-29-24(31)20-7-3-4-8-21(20)26-25(29)32/h3-4,7-8,10-11,17H,5-6,9,12-16H2,1-2H3,(H,26,32)