[1-(2-nitrophenyl)piperidin-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: [1-(2-nitrophenyl)piperidin-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone Openeye Name: [1-(2-nitrophenyl)-4-piperidyl]-[4-(3-thienylmethyl)piperazin-1-yl]methanone CAS Name: [1-(2-nitrophenyl)-4-piperidinyl]-[4-(3-thiophenylmethyl)-1-piperazinyl]methanone IUPAC Name: [1-(2-nitrophenyl)piperidin-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone Traditional Name: [1-(2-nitrophenyl)-4-piperidyl]-[4-(3-thenyl)piperazino]methanone Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)CC3=CSC=C3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)CC3=CSC=C3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O3S/c26-21(24-12-10-22(11-13-24)15-17-7-14-29-16-17)18-5-8-23(9-6-18)19-3-1-2-4-20(19)25(27)28/h1-4,7,14,16,18H,5-6,8-13,15H2