3-[bis(2-chloroethyl)amino]-N-[4-(2-bromanylethanoyl)phenyl]-4-methyl-benzamide

Systemtic Name: 3-[bis(2-chloroethyl)amino]-N-[4-(2-bromanylethanoyl)phenyl]-4-methyl-benzamide Openeye Name: 3-[bis(2-chloroethyl)amino]-N-[4-(2-bromoacetyl)phenyl]-4-methyl-benzamide CAS Name: 3-[bis(2-chloroethyl)amino]-N-[4-(2-bromo-1-oxoethyl)phenyl]-4-methylbenzamide IUPAC Name: 3-[bis(2-chloroethyl)amino]-N-[4-(2-bromoacetyl)phenyl]-4-methylbenzamide Traditional Name: 3-[bis(2-chloroethyl)amino]-N-[4-(2-bromoacetyl)phenyl]-4-methyl-benzamide Formula: C20H21BrCl2N2O2 MolecularWeight: 472.20294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)CBr)N(CCCl)CCCl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)CBr)N(CCCl)CCCl

InChI

InChI=1S/C20H21BrCl2N2O2/c1-14-2-3-16(12-18(14)25(10-8-22)11-9-23)20(27)24-17-6-4-15(5-7-17)19(26)13-21/h2-7,12H,8-11,13H2,1H3,(H,24,27)