3-[6-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-oxidanylidene-hexyl]-1H-quinazoline-2,4-dione

Systemtic Name: 3-[6-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-oxidanylidene-hexyl]-1H-quinazoline-2,4-dione Openeye Name: 3-[6-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-oxo-hexyl]-1H-quinazoline-2,4-dione CAS Name: 3-[6-[4-(2,5-dimethylphenyl)-1-piperazinyl]-6-oxohexyl]-1H-quinazoline-2,4-dione IUPAC Name: 3-[6-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-oxohexyl]-1H-quinazoline-2,4-dione Traditional Name: 3-[6-[4-(2,5-dimethylphenyl)piperazino]-6-keto-hexyl]-1H-quinazoline-2,4-quinone Formula: C26H32N4O3 MolecularWeight: 448.55728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=O

InChI

InChI=1S/C26H32N4O3/c1-19-11-12-20(2)23(18-19)28-14-16-29(17-15-28)24(31)10-4-3-7-13-30-25(32)21-8-5-6-9-22(21)27-26(30)33/h5-6,8-9,11-12,18H,3-4,7,10,13-17H2,1-2H3,(H,27,33)