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

Systemtic Name: [3-nitro-4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]phenyl]-phenyl-methanone Openeye Name: [3-nitro-4-[4-(3-thienylmethyl)piperazin-1-yl]phenyl]-phenyl-methanone CAS Name: [3-nitro-4-[4-(3-thiophenylmethyl)-1-piperazinyl]phenyl]-phenylmethanone IUPAC Name: [3-nitro-4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]phenyl]-phenylmethanone Traditional Name: [3-nitro-4-[4-(3-thenyl)piperazino]phenyl]-phenyl-methanone Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC=C2)C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CSC=C2)C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O3S/c26-22(18-4-2-1-3-5-18)19-6-7-20(21(14-19)25(27)28)24-11-9-23(10-12-24)15-17-8-13-29-16-17/h1-8,13-14,16H,9-12,15H2