[4-[[1,3-benzodioxol-5-ylmethyl-[(4-methoxy-3-nitro-phenyl)methyl]amino]methyl]cyclohexyl]methanamine

Systemtic Name: [4-[[1,3-benzodioxol-5-ylmethyl-[(4-methoxy-3-nitro-phenyl)methyl]amino]methyl]cyclohexyl]methanamine Openeye Name: [4-[[1,3-benzodioxol-5-ylmethyl-[(4-methoxy-3-nitro-phenyl)methyl]amino]methyl]cyclohexyl]methanamine CAS Name: [4-[[1,3-benzodioxol-5-ylmethyl-[(4-methoxy-3-nitrophenyl)methyl]amino]methyl]cyclohexyl]methanamine IUPAC Name: [4-[[1,3-benzodioxol-5-ylmethyl-[(4-methoxy-3-nitrophenyl)methyl]amino]methyl]cyclohexyl]methanamine Traditional Name: [4-(aminomethyl)cyclohexyl]methyl-(4-methoxy-3-nitro-benzyl)-piperonyl-amine Formula: C24H31N3O5 MolecularWeight: 441.52004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC2CCC(CC2)CN)CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC2CCC(CC2)CN)CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C24H31N3O5/c1-30-22-8-6-19(10-21(22)27(28)29)14-26(13-18-4-2-17(12-25)3-5-18)15-20-7-9-23-24(11-20)32-16-31-23/h6-11,17-18H,2-5,12-16,25H2,1H3