N-(4-bromanyl-2-methyl-phenyl)-2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanoylamino]ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanoylamino]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetyl]amino]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[2-[4-(4-hydroxyphenyl)-1-piperazinyl]-1-oxoethyl]amino]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[[2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetyl]amino]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-[4-(4-hydroxyphenyl)piperazino]acetyl]amino]acetamide Formula: C21H25BrN4O3 MolecularWeight: 461.3522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CN2CCN(CC2)C3=CC=C(C=C3)O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CN2CCN(CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C21H25BrN4O3/c1-15-12-16(22)2-7-19(15)24-20(28)13-23-21(29)14-25-8-10-26(11-9-25)17-3-5-18(27)6-4-17/h2-7,12,27H,8-11,13-14H2,1H3,(H,23,29)(H,24,28)