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

Systemtic Name: [4-(3-methylpiperidin-1-yl)-3-nitro-phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone Openeye Name: [4-(3-methyl-1-piperidyl)-3-nitro-phenyl]-[4-(2-thienylmethyl)piperazin-1-yl]methanone CAS Name: [4-(3-methyl-1-piperidinyl)-3-nitrophenyl]-[4-(thiophen-2-ylmethyl)-1-piperazinyl]methanone IUPAC Name: [4-(3-methylpiperidin-1-yl)-3-nitrophenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone Traditional Name: [4-(3-methylpiperidino)-3-nitro-phenyl]-[4-(2-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=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O3S/c1-17-4-2-8-25(15-17)20-7-6-18(14-21(20)26(28)29)22(27)24-11-9-23(10-12-24)16-19-5-3-13-30-19/h3,5-7,13-14,17H,2,4,8-12,15-16H2,1H3