3-[(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]quinazolin-4-one

Systemtic Name: 3-[(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]quinazolin-4-one Openeye Name: 3-[(1S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl]quinazolin-4-one CAS Name: 3-[(2S)-1-[4-(3-chlorophenyl)-1-piperazinyl]-1-oxopropan-2-yl]-4-quinazolinone IUPAC Name: 3-[(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]quinazolin-4-one Traditional Name: 3-[(1S)-2-[4-(3-chlorophenyl)piperazino]-2-keto-1-methyl-ethyl]quinazolin-4-one Formula: C21H21ClN4O2 MolecularWeight: 396.87004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC(=CC=C2)Cl)N3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)C2=CC(=CC=C2)Cl)N3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H21ClN4O2/c1-15(26-14-23-19-8-3-2-7-18(19)21(26)28)20(27)25-11-9-24(10-12-25)17-6-4-5-16(22)13-17/h2-8,13-15H,9-12H2,1H3/t15-/m0/s1