(2R)-3-(1,3-benzodioxol-5-ylmethyl)-2-(3-nitro-4-pyrrolidin-1-yl-phenyl)-1,2-dihydroquinazolin-4-one

Systemtic Name: (2R)-3-(1,3-benzodioxol-5-ylmethyl)-2-(3-nitro-4-pyrrolidin-1-yl-phenyl)-1,2-dihydroquinazolin-4-one Openeye Name: (2R)-3-(1,3-benzodioxol-5-ylmethyl)-2-(3-nitro-4-pyrrolidin-1-yl-phenyl)-1,2-dihydroquinazolin-4-one CAS Name: (2R)-3-(1,3-benzodioxol-5-ylmethyl)-2-[3-nitro-4-(1-pyrrolidinyl)phenyl]-1,2-dihydroquinazolin-4-one IUPAC Name: (2R)-3-(1,3-benzodioxol-5-ylmethyl)-2-(3-nitro-4-pyrrolidin-1-ylphenyl)-1,2-dihydroquinazolin-4-one Traditional Name: (2R)-2-(3-nitro-4-pyrrolidino-phenyl)-3-piperonyl-1,2-dihydroquinazolin-4-one Formula: C26H24N4O5 MolecularWeight: 472.49256

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C3NC4=CC=CC=C4C(=O)N3CC5=CC6=C(C=C5)OCO6)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[C@@H]3NC4=CC=CC=C4C(=O)N3CC5=CC6=C(C=C5)OCO6)[N+](=O)[O-]

InChI

InChI=1S/C26H24N4O5/c31-26-19-5-1-2-6-20(19)27-25(29(26)15-17-7-10-23-24(13-17)35-16-34-23)18-8-9-21(22(14-18)30(32)33)28-11-3-4-12-28/h1-2,5-10,13-14,25,27H,3-4,11-12,15-16H2/t25-/m1/s1