1-(1-benzothiophen-3-yl)-4-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]butan-1-ol

Systemtic Name: 1-(1-benzothiophen-3-yl)-4-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]butan-1-ol Openeye Name: 1-(benzothiophen-3-yl)-4-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]butan-1-ol CAS Name: 1-(1-benzothiophen-3-yl)-4-[4-[(4-nitrophenyl)methyl]-1-piperazinyl]-1-butanol IUPAC Name: 1-(1-benzothiophen-3-yl)-4-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]butan-1-ol Traditional Name: 1-(benzothiophen-3-yl)-4-[4-(4-nitrobenzyl)piperazino]butan-1-ol Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC(C2=CSC3=CC=CC=C32)O)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCCC(C2=CSC3=CC=CC=C32)O)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O3S/c27-22(21-17-30-23-6-2-1-4-20(21)23)5-3-11-24-12-14-25(15-13-24)16-18-7-9-19(10-8-18)26(28)29/h1-2,4,6-10,17,22,27H,3,5,11-16H2