N-(3-bromanyl-4-methyl-phenyl)-3-[4-(cyanomethyl)piperazin-1-yl]propanamide

Systemtic Name: N-(3-bromanyl-4-methyl-phenyl)-3-[4-(cyanomethyl)piperazin-1-yl]propanamide Openeye Name: N-(3-bromo-4-methyl-phenyl)-3-[4-(cyanomethyl)piperazin-1-yl]propanamide CAS Name: N-(3-bromo-4-methylphenyl)-3-[4-(cyanomethyl)-1-piperazinyl]propanamide IUPAC Name: N-(3-bromo-4-methylphenyl)-3-[4-(cyanomethyl)piperazin-1-yl]propanamide Traditional Name: N-(3-bromo-4-methyl-phenyl)-3-[4-(cyanomethyl)piperazino]propionamide Formula: C16H21BrN4O MolecularWeight: 365.26814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCN2CCN(CC2)CC#N)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCN2CCN(CC2)CC#N)Br

InChI

InChI=1S/C16H21BrN4O/c1-13-2-3-14(12-15(13)17)19-16(22)4-6-20-8-10-21(7-5-18)11-9-20/h2-3,12H,4,6-11H2,1H3,(H,19,22)