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

Systemtic Name: 2-[4-[(2S)-3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(2S)-3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetonitrile CAS Name: 2-[4-[(2S)-3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(2S)-3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetonitrile Traditional Name: 2-[4-[(2S)-4-keto-3-piperonyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetonitrile Formula: C24H19N3O4 MolecularWeight: 413.42536

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(NC4=CC=CC=C4C3=O)C5=CC=C(C=C5)OCC#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3[C@H](NC4=CC=CC=C4C3=O)C5=CC=C(C=C5)OCC#N

InChI

InChI=1S/C24H19N3O4/c25-11-12-29-18-8-6-17(7-9-18)23-26-20-4-2-1-3-19(20)24(28)27(23)14-16-5-10-21-22(13-16)31-15-30-21/h1-10,13,23,26H,12,14-15H2/t23-/m0/s1