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

Systemtic Name: 3-[6-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-6-oxidanylidene-hexyl]-1H-quinazoline-2,4-dione Openeye Name: 3-[6-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-6-oxo-hexyl]-1H-quinazoline-2,4-dione CAS Name: 3-[6-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-6-oxohexyl]-1H-quinazoline-2,4-dione IUPAC Name: 3-[6-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-oxohexyl]-1H-quinazoline-2,4-dione Traditional Name: 3-[6-[4-(5-chloro-2-methyl-phenyl)piperazino]-6-keto-hexyl]-1H-quinazoline-2,4-quinone Formula: C25H29ClN4O3 MolecularWeight: 468.97576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29ClN4O3/c1-18-10-11-19(26)17-22(18)28-13-15-29(16-14-28)23(31)9-3-2-6-12-30-24(32)20-7-4-5-8-21(20)27-25(30)33/h4-5,7-8,10-11,17H,2-3,6,9,12-16H2,1H3,(H,27,33)