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

Systemtic Name: 2-ethyl-3-[(2S,3R)-2-(2-methylpropanoyl)-3-phenyl-aziridin-1-yl]quinazolin-4-one Openeye Name: 2-ethyl-3-[(2S,3R)-2-(2-methylpropanoyl)-3-phenyl-aziridin-1-yl]quinazolin-4-one CAS Name: 2-ethyl-3-[(2S,3R)-2-(2-methyl-1-oxopropyl)-3-phenyl-1-aziridinyl]-4-quinazolinone IUPAC Name: 2-ethyl-3-[(2S,3R)-2-(2-methylpropanoyl)-3-phenylaziridin-1-yl]quinazolin-4-one Traditional Name: 2-ethyl-3-[(2S,3R)-2-isobutyryl-3-phenyl-ethylenimin-1-yl]quinazolin-4-one Formula: C22H23N3O2 MolecularWeight: 361.43692

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=O)N1N3C(C3C(=O)C(C)C)C4=CC=CC=C4

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=O)N1N3[C@@H]([C@H]3C(=O)C(C)C)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O2/c1-4-18-23-17-13-9-8-12-16(17)22(27)24(18)25-19(15-10-6-5-7-11-15)20(25)21(26)14(2)3/h5-14,19-20H,4H2,1-3H3/t19-,20+,25?/m1/s1