N-[[4-(aminomethyl)phenyl]methyl]-1-cyclohexyl-N-[(4-methoxy-3-nitro-phenyl)methyl]methanamine

Systemtic Name: N-[[4-(aminomethyl)phenyl]methyl]-1-cyclohexyl-N-[(4-methoxy-3-nitro-phenyl)methyl]methanamine Openeye Name: N-[[4-(aminomethyl)phenyl]methyl]-1-cyclohexyl-N-[(4-methoxy-3-nitro-phenyl)methyl]methanamine CAS Name: N-[[4-(aminomethyl)phenyl]methyl]-1-cyclohexyl-N-[(4-methoxy-3-nitrophenyl)methyl]methanamine IUPAC Name: N-[[4-(aminomethyl)phenyl]methyl]-1-cyclohexyl-N-[(4-methoxy-3-nitrophenyl)methyl]methanamine Traditional Name: [4-(aminomethyl)benzyl]-(cyclohexylmethyl)-(4-methoxy-3-nitro-benzyl)amine Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC2CCCCC2)CC3=CC=C(C=C3)CN)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC2CCCCC2)CC3=CC=C(C=C3)CN)[N+](=O)[O-]

InChI

InChI=1S/C23H31N3O3/c1-29-23-12-11-21(13-22(23)26(27)28)17-25(15-19-5-3-2-4-6-19)16-20-9-7-18(14-24)8-10-20/h7-13,19H,2-6,14-17,24H2,1H3