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

Systemtic Name: [4-[4-nitro-3-[4-(phenylmethyl)piperazin-1-yl]phenyl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[3-(4-benzylpiperazin-1-yl)-4-nitro-phenyl]piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-[4-nitro-3-[4-(phenylmethyl)-1-piperazinyl]phenyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[3-(4-benzylpiperazin-1-yl)-4-nitrophenyl]piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[3-(4-benzylpiperazino)-4-nitro-phenyl]piperazino]-(2-thienyl)methanone Formula: C26H29N5O3S MolecularWeight: 491.60516

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)C5=CC=CS5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)C5=CC=CS5)[N+](=O)[O-]

InChI

InChI=1S/C26H29N5O3S/c32-26(25-7-4-18-35-25)30-16-14-28(15-17-30)22-8-9-23(31(33)34)24(19-22)29-12-10-27(11-13-29)20-21-5-2-1-3-6-21/h1-9,18-19H,10-17,20H2