2-cyclopropyl-5-[4-[3-(3-nitrophenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-cyclopropyl-5-[4-[3-(3-nitrophenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 2-cyclopropyl-5-[4-[2-hydroxy-3-(3-nitrophenoxy)propyl]piperazin-1-yl]oxazole-4-carbonitrile CAS Name: 2-cyclopropyl-5-[4-[2-hydroxy-3-(3-nitrophenoxy)propyl]-1-piperazinyl]-4-oxazolecarbonitrile IUPAC Name: 2-cyclopropyl-5-[4-[2-hydroxy-3-(3-nitrophenoxy)propyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile Traditional Name: 2-cyclopropyl-5-[4-[2-hydroxy-3-(3-nitrophenoxy)propyl]piperazino]oxazole-4-carbonitrile Formula: C20H23N5O5 MolecularWeight: 413.42712

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=C(O2)N3CCN(CC3)CC(COC4=CC=CC(=C4)[N+](=O)[O-])O)C#N

Isomeric SMILES

C1CC1C2=NC(=C(O2)N3CCN(CC3)CC(COC4=CC=CC(=C4)[N+](=O)[O-])O)C#N

InChI

InChI=1S/C20H23N5O5/c21-11-18-20(30-19(22-18)14-4-5-14)24-8-6-23(7-9-24)12-16(26)13-29-17-3-1-2-15(10-17)25(27)28/h1-3,10,14,16,26H,4-9,12-13H2