(2S)-3-(1,3-benzodioxol-5-ylmethyl)-2-(5-thiophen-2-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one

Systemtic Name: (2S)-3-(1,3-benzodioxol-5-ylmethyl)-2-(5-thiophen-2-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-3-(1,3-benzodioxol-5-ylmethyl)-2-[5-(2-thienyl)-1H-pyrazol-4-yl]-1,2-dihydroquinazolin-4-one CAS Name: (2S)-3-(1,3-benzodioxol-5-ylmethyl)-2-(5-thiophen-2-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-3-(1,3-benzodioxol-5-ylmethyl)-2-(5-thiophen-2-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-3-piperonyl-2-[5-(2-thienyl)-1H-pyrazol-4-yl]-1,2-dihydroquinazolin-4-one Formula: C23H18N4O3S MolecularWeight: 430.47902

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(NC4=CC=CC=C4C3=O)C5=C(NN=C5)C6=CC=CS6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3[C@H](NC4=CC=CC=C4C3=O)C5=C(NN=C5)C6=CC=CS6

InChI

InChI=1S/C23H18N4O3S/c28-23-15-4-1-2-5-17(15)25-22(16-11-24-26-21(16)20-6-3-9-31-20)27(23)12-14-7-8-18-19(10-14)30-13-29-18/h1-11,22,25H,12-13H2,(H,24,26)/t22-/m0/s1