2-[(2S)-3,3-dimethylbutan-2-yl]-3-[(2S,3R)-2-(2-methylpropanoyl)-3-phenyl-aziridin-1-yl]quinazolin-4-one

Systemtic Name: 2-[(2S)-3,3-dimethylbutan-2-yl]-3-[(2S,3R)-2-(2-methylpropanoyl)-3-phenyl-aziridin-1-yl]quinazolin-4-one Openeye Name: 3-[(2S,3R)-2-(2-methylpropanoyl)-3-phenyl-aziridin-1-yl]-2-[(1S)-1,2,2-trimethylpropyl]quinazolin-4-one CAS Name: 2-[(2S)-3,3-dimethylbutan-2-yl]-3-[(2S,3R)-2-(2-methyl-1-oxopropyl)-3-phenyl-1-aziridinyl]-4-quinazolinone IUPAC Name: 2-[(2S)-3,3-dimethylbutan-2-yl]-3-[(2S,3R)-2-(2-methylpropanoyl)-3-phenylaziridin-1-yl]quinazolin-4-one Traditional Name: 3-[(2S,3R)-2-isobutyryl-3-phenyl-ethylenimin-1-yl]-2-[(1S)-1,2,2-trimethylpropyl]quinazolin-4-one Formula: C26H31N3O2 MolecularWeight: 417.54324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C1C(N1N2C(=O)C3=CC=CC=C3N=C2C(C)C(C)(C)C)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2C(=O)N1N3[C@@H]([C@H]3C(=O)C(C)C)C4=CC=CC=C4)C(C)(C)C

InChI

InChI=1S/C26H31N3O2/c1-16(2)23(30)22-21(18-12-8-7-9-13-18)28(22)29-24(17(3)26(4,5)6)27-20-15-11-10-14-19(20)25(29)31/h7-17,21-22H,1-6H3/t17-,21-,22+,28?/m1/s1