(2S)-3-(furan-2-ylmethyl)-2-(3-nitro-4-pyrrolidin-1-yl-phenyl)-1,2-dihydroquinazolin-4-one

Systemtic Name: (2S)-3-(furan-2-ylmethyl)-2-(3-nitro-4-pyrrolidin-1-yl-phenyl)-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-3-(2-furylmethyl)-2-(3-nitro-4-pyrrolidin-1-yl-phenyl)-1,2-dihydroquinazolin-4-one CAS Name: (2S)-3-(2-furanylmethyl)-2-[3-nitro-4-(1-pyrrolidinyl)phenyl]-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-3-(furan-2-ylmethyl)-2-(3-nitro-4-pyrrolidin-1-ylphenyl)-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-3-(2-furfuryl)-2-(3-nitro-4-pyrrolidino-phenyl)-1,2-dihydroquinazolin-4-one Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C3NC4=CC=CC=C4C(=O)N3CC5=CC=CO5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[C@H]3NC4=CC=CC=C4C(=O)N3CC5=CC=CO5)[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O4/c28-23-18-7-1-2-8-19(18)24-22(26(23)15-17-6-5-13-31-17)16-9-10-20(21(14-16)27(29)30)25-11-3-4-12-25/h1-2,5-10,13-14,22,24H,3-4,11-12,15H2/t22-/m0/s1