N-(3-bromophenyl)-4-[(4-butoxyphenyl)methyl]piperazine-1-carboxamide

Systemtic Name: N-(3-bromophenyl)-4-[(4-butoxyphenyl)methyl]piperazine-1-carboxamide Openeye Name: N-(3-bromophenyl)-4-[(4-butoxyphenyl)methyl]piperazine-1-carboxamide CAS Name: N-(3-bromophenyl)-4-[(4-butoxyphenyl)methyl]-1-piperazinecarboxamide IUPAC Name: N-(3-bromophenyl)-4-[(4-butoxyphenyl)methyl]piperazine-1-carboxamide Traditional Name: N-(3-bromophenyl)-4-(4-butoxybenzyl)piperazine-1-carboxamide Formula: C22H28BrN3O2 MolecularWeight: 446.38062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C22H28BrN3O2/c1-2-3-15-28-21-9-7-18(8-10-21)17-25-11-13-26(14-12-25)22(27)24-20-6-4-5-19(23)16-20/h4-10,16H,2-3,11-15,17H2,1H3,(H,24,27)