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

Systemtic Name: 4-[(2S)-3-(1,3-benzodioxol-5-yl)-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]benzenecarbonitrile Openeye Name: 4-[(2S)-3-(1,3-benzodioxol-5-yl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzonitrile CAS Name: 4-[(2S)-3-(1,3-benzodioxol-5-yl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzonitrile IUPAC Name: 4-[(2S)-3-(1,3-benzodioxol-5-yl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzonitrile Traditional Name: 4-[(2S)-3-(1,3-benzodioxol-5-yl)-4-keto-1,2-dihydroquinazolin-2-yl]benzonitrile Formula: C22H15N3O3 MolecularWeight: 369.3728

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H15N3O3/c23-12-14-5-7-15(8-6-14)21-24-18-4-2-1-3-17(18)22(26)25(21)16-9-10-19-20(11-16)28-13-27-19/h1-11,21,24H,13H2/t21-/m0/s1