1-[(5-nitrothiophen-3-yl)methyl]-4-[1-(4-phenylmethoxybutyl)imidazol-2-yl]piperidine

Systemtic Name: 1-[(5-nitrothiophen-3-yl)methyl]-4-[1-(4-phenylmethoxybutyl)imidazol-2-yl]piperidine Openeye Name: 4-[1-(4-benzyloxybutyl)imidazol-2-yl]-1-[(5-nitro-3-thienyl)methyl]piperidine CAS Name: 1-[(5-nitro-3-thiophenyl)methyl]-4-[1-(4-phenylmethoxybutyl)-2-imidazolyl]piperidine IUPAC Name: 1-[(5-nitrothiophen-3-yl)methyl]-4-[1-(4-phenylmethoxybutyl)imidazol-2-yl]piperidine Traditional Name: 4-[1-(4-benzoxybutyl)imidazol-2-yl]-1-[(5-nitro-3-thienyl)methyl]piperidine Formula: C24H30N4O3S MolecularWeight: 454.585

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC=CN2CCCCOCC3=CC=CC=C3)CC4=CSC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C2=NC=CN2CCCCOCC3=CC=CC=C3)CC4=CSC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H30N4O3S/c29-28(30)23-16-21(19-32-23)17-26-12-8-22(9-13-26)24-25-10-14-27(24)11-4-5-15-31-18-20-6-2-1-3-7-20/h1-3,6-7,10,14,16,19,22H,4-5,8-9,11-13,15,17-18H2