[4-[4-nitro-3-(4-phenylpiperazin-1-yl)phenyl]piperazin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[4-nitro-3-(4-phenylpiperazin-1-yl)phenyl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[4-nitro-3-(4-phenylpiperazin-1-yl)phenyl]piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-[4-nitro-3-(4-phenyl-1-piperazinyl)phenyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[4-nitro-3-(4-phenylpiperazin-1-yl)phenyl]piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[4-nitro-3-(4-phenylpiperazino)phenyl]piperazino]-(2-thienyl)methanone Formula: C25H27N5O3S MolecularWeight: 477.57858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)C5=CC=CS5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)C5=CC=CS5)[N+](=O)[O-]

InChI

InChI=1S/C25H27N5O3S/c31-25(24-7-4-18-34-24)29-16-12-27(13-17-29)21-8-9-22(30(32)33)23(19-21)28-14-10-26(11-15-28)20-5-2-1-3-6-20/h1-9,18-19H,10-17H2