2-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetonitrile CAS Name: 2-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetonitrile Traditional Name: 2-[4-[(2S)-4-keto-3-p-phenetyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetonitrile Formula: C24H21N3O3 MolecularWeight: 399.44184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)OCC#N

Isomeric SMILES

CCOC1=CC=C(C=C1)N2[C@H](NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)OCC#N

InChI

InChI=1S/C24H21N3O3/c1-2-29-19-13-9-18(10-14-19)27-23(17-7-11-20(12-8-17)30-16-15-25)26-22-6-4-3-5-21(22)24(27)28/h3-14,23,26H,2,16H2,1H3/t23-/m0/s1