1-[(5-bromanyl-2-methoxy-phenyl)methyl]-N-(2-methoxy-5-nitro-phenyl)piperidin-4-amine

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-N-(2-methoxy-5-nitro-phenyl)piperidin-4-amine Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-N-(2-methoxy-5-nitro-phenyl)piperidin-4-amine CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-N-(2-methoxy-5-nitrophenyl)-4-piperidinamine IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-N-(2-methoxy-5-nitrophenyl)piperidin-4-amine Traditional Name: [1-(5-bromo-2-methoxy-benzyl)-4-piperidyl]-(2-methoxy-5-nitro-phenyl)amine Formula: C20H24BrN3O4 MolecularWeight: 450.32626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CN2CCC(CC2)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CN2CCC(CC2)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H24BrN3O4/c1-27-19-5-3-15(21)11-14(19)13-23-9-7-16(8-10-23)22-18-12-17(24(25)26)4-6-20(18)28-2/h3-6,11-12,16,22H,7-10,13H2,1-2H3