2-[[(3S)-5-bromanyl-1-methyl-2-oxidanylidene-3H-indol-3-yl]methyl]-3-(2-methylphenyl)quinazolin-4-one

Systemtic Name: 2-[[(3S)-5-bromanyl-1-methyl-2-oxidanylidene-3H-indol-3-yl]methyl]-3-(2-methylphenyl)quinazolin-4-one Openeye Name: 2-[[(3S)-5-bromo-1-methyl-2-oxo-indolin-3-yl]methyl]-3-(o-tolyl)quinazolin-4-one CAS Name: 2-[[(3S)-5-bromo-1-methyl-2-oxo-3H-indol-3-yl]methyl]-3-(2-methylphenyl)-4-quinazolinone IUPAC Name: 2-[[(3S)-5-bromo-1-methyl-2-oxo-3H-indol-3-yl]methyl]-3-(2-methylphenyl)quinazolin-4-one Traditional Name: 2-[[(3S)-5-bromo-2-keto-1-methyl-indolin-3-yl]methyl]-3-(o-tolyl)quinazolin-4-one Formula: C25H20BrN3O2 MolecularWeight: 474.3492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CC4C5=C(C=CC(=C5)Br)N(C4=O)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C[C@H]4C5=C(C=CC(=C5)Br)N(C4=O)C

InChI

InChI=1S/C25H20BrN3O2/c1-15-7-3-6-10-21(15)29-23(27-20-9-5-4-8-17(20)25(29)31)14-19-18-13-16(26)11-12-22(18)28(2)24(19)30/h3-13,19H,14H2,1-2H3/t19-/m0/s1