[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(4-nitrophenyl)carbonylpiperidin-4-yl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(4-nitrophenyl)carbonylpiperidin-4-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(4-nitrobenzoyl)-4-piperidyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[1-[(4-nitrophenyl)-oxomethyl]-4-piperidinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(4-nitrobenzoyl)piperidin-4-yl]methanone Traditional Name: [1-(4-nitrobenzoyl)-4-piperidyl]-(4-piperonylpiperazino)methanone Formula: C25H28N4O6 MolecularWeight: 480.51302

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H28N4O6/c30-24(19-2-4-21(5-3-19)29(32)33)27-9-7-20(8-10-27)25(31)28-13-11-26(12-14-28)16-18-1-6-22-23(15-18)35-17-34-22/h1-6,15,20H,7-14,16-17H2