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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CSC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CSC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O3S/c1-17-3-2-7-25(14-17)20-5-4-19(13-21(20)26(28)29)22(27)24-10-8-23(9-11-24)15-18-6-12-30-16-18/h4-6,12-13,16-17H,2-3,7-11,14-15H2,1H3