3-[4-[(2R)-3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]-3-phenyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[4-[(2R)-3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[(2R)-3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[(2R)-3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[(2R)-3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[(2R)-4-keto-3-piperonyl-1,2-dihydroquinazolin-2-yl]-3-phenyl-pyrazol-1-yl]propionitrile Formula: C28H23N5O3 MolecularWeight: 477.51392

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(NC4=CC=CC=C4C3=O)C5=CN(N=C5C6=CC=CC=C6)CCC#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3[C@@H](NC4=CC=CC=C4C3=O)C5=CN(N=C5C6=CC=CC=C6)CCC#N

InChI

InChI=1S/C28H23N5O3/c29-13-6-14-32-17-22(26(31-32)20-7-2-1-3-8-20)27-30-23-10-5-4-9-21(23)28(34)33(27)16-19-11-12-24-25(15-19)36-18-35-24/h1-5,7-12,15,17,27,30H,6,14,16,18H2/t27-/m1/s1