N-(2-bromanyl-4-methyl-phenyl)-2-piperazin-1-yl-propanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-piperazin-1-yl-propanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-piperazin-1-yl-propanamide CAS Name: N-(2-bromo-4-methylphenyl)-2-(1-piperazinyl)propanamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-piperazin-1-ylpropanamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-piperazino-propionamide Formula: C14H20BrN3O MolecularWeight: 326.2321

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)N2CCNCC2)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C)N2CCNCC2)Br

InChI

InChI=1S/C14H20BrN3O/c1-10-3-4-13(12(15)9-10)17-14(19)11(2)18-7-5-16-6-8-18/h3-4,9,11,16H,5-8H2,1-2H3,(H,17,19)