[2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: [2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone Openeye Name: [2-(4-methyl-1-piperidyl)-5-nitro-phenyl]-[4-(3-thienylmethyl)piperazin-1-yl]methanone CAS Name: [2-(4-methyl-1-piperidinyl)-5-nitrophenyl]-[4-(3-thiophenylmethyl)-1-piperazinyl]methanone IUPAC Name: [2-(4-methylpiperidin-1-yl)-5-nitrophenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone Traditional Name: [2-(4-methylpiperidino)-5-nitro-phenyl]-[4-(3-thenyl)piperazino]methanone Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCN(CC3)CC4=CSC=C4

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCN(CC3)CC4=CSC=C4

InChI

InChI=1S/C22H28N4O3S/c1-17-4-7-24(8-5-17)21-3-2-19(26(28)29)14-20(21)22(27)25-11-9-23(10-12-25)15-18-6-13-30-16-18/h2-3,6,13-14,16-17H,4-5,7-12,15H2,1H3