4-(3-bromanyl-5-methoxy-phenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperazine-2-carboxamide

Systemtic Name: 4-(3-bromanyl-5-methoxy-phenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperazine-2-carboxamide Openeye Name: 4-(3-bromo-5-methoxy-phenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperazine-2-carboxamide CAS Name: 4-(3-bromo-5-methoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-piperazinecarboxamide IUPAC Name: 4-(3-bromo-5-methoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperazine-2-carboxamide Traditional Name: 4-(3-bromo-5-methoxy-phenyl)-1-veratryl-piperazine-2-carboxamide Formula: C21H26BrN3O4 MolecularWeight: 464.35284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2C(=O)N)C3=CC(=CC(=C3)Br)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2C(=O)N)C3=CC(=CC(=C3)Br)OC)OC

InChI

InChI=1S/C21H26BrN3O4/c1-27-17-10-15(22)9-16(11-17)24-6-7-25(18(13-24)21(23)26)12-14-4-5-19(28-2)20(8-14)29-3/h4-5,8-11,18H,6-7,12-13H2,1-3H3,(H2,23,26)