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

Systemtic Name: 4-[(5-bromanyl-3-methoxy-2-oxidanyl-phenyl)methyl]-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-[(5-bromo-2-hydroxy-3-methoxy-phenyl)methyl]-N-phenyl-piperazine-1-carboxamide CAS Name: 4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide Traditional Name: 4-(5-bromo-2-hydroxy-3-methoxy-benzyl)-N-phenyl-piperazine-1-carboxamide Formula: C19H22BrN3O3 MolecularWeight: 420.30028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Br)CN2CCN(CC2)C(=O)NC3=CC=CC=C3)O

Isomeric SMILES

COC1=C(C(=CC(=C1)Br)CN2CCN(CC2)C(=O)NC3=CC=CC=C3)O

InChI

InChI=1S/C19H22BrN3O3/c1-26-17-12-15(20)11-14(18(17)24)13-22-7-9-23(10-8-22)19(25)21-16-5-3-2-4-6-16/h2-6,11-12,24H,7-10,13H2,1H3,(H,21,25)