5-[[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole

Systemtic Name: 5-[[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole Openeye Name: 5-[[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole CAS Name: 5-[[2-(4-ethoxyphenyl)-1-pyrrolidinyl]methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole IUPAC Name: 5-[[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole Traditional Name: 3-(3-nitrophenyl)-5-[(2-p-phenetylpyrrolidino)methyl]-1,2,4-oxadiazole Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCCN2CC3=NC(=NO3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2CCCN2CC3=NC(=NO3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4/c1-2-28-18-10-8-15(9-11-18)19-7-4-12-24(19)14-20-22-21(23-29-20)16-5-3-6-17(13-16)25(26)27/h3,5-6,8-11,13,19H,2,4,7,12,14H2,1H3