2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-(4-ethylphenyl)quinazolin-4-one

Systemtic Name: 2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-(4-ethylphenyl)quinazolin-4-one Openeye Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-3-(4-ethylphenyl)quinazolin-4-one CAS Name: 2-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-3-(4-ethylphenyl)-4-quinazolinone IUPAC Name: 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4-ethylphenyl)quinazolin-4-one Traditional Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazino]-3-(4-ethylphenyl)quinazolin-4-one Formula: C27H27ClN4O MolecularWeight: 458.98248

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2N4CCN(CC4)C5=C(C=CC(=C5)Cl)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2N4CCN(CC4)C5=C(C=CC(=C5)Cl)C

InChI

InChI=1S/C27H27ClN4O/c1-3-20-9-12-22(13-10-20)32-26(33)23-6-4-5-7-24(23)29-27(32)31-16-14-30(15-17-31)25-18-21(28)11-8-19(25)2/h4-13,18H,3,14-17H2,1-2H3