[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperidin-2-yl]methyl 4-(1H-indol-4-yl)piperazine-1-carboxylate

Systemtic Name: [1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperidin-2-yl]methyl 4-(1H-indol-4-yl)piperazine-1-carboxylate Openeye Name: [1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-2-piperidyl]methyl 4-(1H-indol-4-yl)piperazine-1-carboxylate CAS Name: 4-(1H-indol-4-yl)-1-piperazinecarboxylic acid [1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-2-piperidinyl]methyl ester IUPAC Name: [1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperidin-2-yl]methyl 4-(1H-indol-4-yl)piperazine-1-carboxylate Traditional Name: 4-(1H-indol-4-yl)piperazine-1-carboxylic acid [1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-2-piperidyl]methyl ester Formula: C27H31N5O6 MolecularWeight: 521.56494

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)COC(=O)N2CCN(CC2)C3=CC=CC4=C3C=CN4)CC5=CC6=C(C=C5[N+](=O)[O-])OCO6

Isomeric SMILES

C1CCN(C(C1)COC(=O)N2CCN(CC2)C3=CC=CC4=C3C=CN4)CC5=CC6=C(C=C5[N+](=O)[O-])OCO6

InChI

InChI=1S/C27H31N5O6/c33-27(30-12-10-29(11-13-30)23-6-3-5-22-21(23)7-8-28-22)36-17-20-4-1-2-9-31(20)16-19-14-25-26(38-18-37-25)15-24(19)32(34)35/h3,5-8,14-15,20,28H,1-2,4,9-13,16-18H2