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

Systemtic Name: 2-[4-[(2S)-3-(4-methoxyphenyl)-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(2S)-3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetonitrile CAS Name: 2-[4-[(2S)-3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(2S)-3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetonitrile Traditional Name: 2-[4-[(2S)-4-keto-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-2-yl]phenoxy]acetonitrile Formula: C23H19N3O3 MolecularWeight: 385.41526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)OCC#N

Isomeric SMILES

COC1=CC=C(C=C1)N2[C@H](NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)OCC#N

InChI

InChI=1S/C23H19N3O3/c1-28-18-12-8-17(9-13-18)26-22(16-6-10-19(11-7-16)29-15-14-24)25-21-5-3-2-4-20(21)23(26)27/h2-13,22,25H,15H2,1H3/t22-/m0/s1