3-(3-nitrophenyl)-5-[4-(4-phenylpiperazin-1-yl)butyl]-1,2-oxazole hydrochloride

Systemtic Name: 3-(3-nitrophenyl)-5-[4-(4-phenylpiperazin-1-yl)butyl]-1,2-oxazole hydrochloride Openeye Name: 3-(3-nitrophenyl)-5-[4-(4-phenylpiperazin-1-yl)butyl]isoxazole hydrochloride CAS Name: 3-(3-nitrophenyl)-5-[4-(4-phenyl-1-piperazinyl)butyl]isoxazole hydrochloride IUPAC Name: 3-(3-nitrophenyl)-5-[4-(4-phenylpiperazin-1-yl)butyl]-1,2-oxazole hydrochloride Traditional Name: 3-(3-nitrophenyl)-5-[4-(4-phenylpiperazino)butyl]isoxazole hydrochloride Formula: C23H27ClN4O3 MolecularWeight: 442.93848

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC2=CC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4.Cl

Isomeric SMILES

C1CN(CCN1CCCCC2=CC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4.Cl

InChI

InChI=1S/C23H26N4O3.ClH/c28-27(29)21-10-6-7-19(17-21)23-18-22(30-24-23)11-4-5-12-25-13-15-26(16-14-25)20-8-2-1-3-9-20;/h1-3,6-10,17-18H,4-5,11-16H2;1H