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

Systemtic Name: 4-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]benzenecarbonitrile Openeye Name: 4-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzonitrile CAS Name: 4-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzonitrile IUPAC Name: 4-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzonitrile Traditional Name: 4-(4-keto-3-piperonyl-1,2-dihydroquinazolin-2-yl)benzonitrile Formula: C23H17N3O3 MolecularWeight: 383.39938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H17N3O3/c24-12-15-5-8-17(9-6-15)22-25-19-4-2-1-3-18(19)23(27)26(22)13-16-7-10-20-21(11-16)29-14-28-20/h1-11,22,25H,13-14H2