3-(4-chlorophenyl)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]quinazolin-4-one

Systemtic Name: 3-(4-chlorophenyl)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]quinazolin-4-one Openeye Name: 3-(4-chlorophenyl)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]quinazolin-4-one CAS Name: 3-(4-chlorophenyl)-2-[4-(2,5-dimethylphenyl)-1-piperazinyl]-4-quinazolinone IUPAC Name: 3-(4-chlorophenyl)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]quinazolin-4-one Traditional Name: 3-(4-chlorophenyl)-2-[4-(2,5-dimethylphenyl)piperazino]quinazolin-4-one Formula: C26H25ClN4O MolecularWeight: 444.9559

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H25ClN4O/c1-18-7-8-19(2)24(17-18)29-13-15-30(16-14-29)26-28-23-6-4-3-5-22(23)25(32)31(26)21-11-9-20(27)10-12-21/h3-12,17H,13-16H2,1-2H3