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

Systemtic Name: 3-[(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]quinazolin-4-one Openeye Name: 3-[(1S)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl]quinazolin-4-one CAS Name: 3-[(2S)-1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-1-oxopropan-2-yl]-4-quinazolinone IUPAC Name: 3-[(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]quinazolin-4-one Traditional Name: 3-[(1S)-2-[4-(2,3-dimethylphenyl)piperazino]-2-keto-1-methyl-ethyl]quinazolin-4-one Formula: C23H26N4O2 MolecularWeight: 390.47814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C(C)N3C=NC4=CC=CC=C4C3=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)[C@H](C)N3C=NC4=CC=CC=C4C3=O)C

InChI

InChI=1S/C23H26N4O2/c1-16-7-6-10-21(17(16)2)25-11-13-26(14-12-25)22(28)18(3)27-15-24-20-9-5-4-8-19(20)23(27)29/h4-10,15,18H,11-14H2,1-3H3/t18-/m0/s1