2-[4-[(2S)-3-(1,3-benzodioxol-5-yl)-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(2S)-3-(1,3-benzodioxol-5-yl)-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(2S)-3-(1,3-benzodioxol-5-yl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetonitrile CAS Name: 2-[4-[(2S)-3-(1,3-benzodioxol-5-yl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(2S)-3-(1,3-benzodioxol-5-yl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetonitrile Traditional Name: 2-[4-[(2S)-3-(1,3-benzodioxol-5-yl)-4-keto-1,2-dihydroquinazolin-2-yl]phenoxy]acetonitrile Formula: C23H17N3O4 MolecularWeight: 399.39878

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)N3C(NC4=CC=CC=C4C3=O)C5=CC=C(C=C5)OCC#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N3[C@H](NC4=CC=CC=C4C3=O)C5=CC=C(C=C5)OCC#N

InChI

InChI=1S/C23H17N3O4/c24-11-12-28-17-8-5-15(6-9-17)22-25-19-4-2-1-3-18(19)23(27)26(22)16-7-10-20-21(13-16)30-14-29-20/h1-10,13,22,25H,12,14H2/t22-/m0/s1