(2S)-N-(2-bromanyl-4-methyl-phenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide

Systemtic Name: (2S)-N-(2-bromanyl-4-methyl-phenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide Openeye Name: (2S)-N-(2-bromo-4-methyl-phenyl)-2-[4-(2-pyridyl)piperazin-1-yl]propanamide CAS Name: (2S)-N-(2-bromo-4-methylphenyl)-2-[4-(2-pyridinyl)-1-piperazinyl]propanamide IUPAC Name: (2S)-N-(2-bromo-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide Traditional Name: (2S)-N-(2-bromo-4-methyl-phenyl)-2-[4-(2-pyridyl)piperazino]propionamide Formula: C19H23BrN4O MolecularWeight: 403.31612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)N2CCN(CC2)C3=CC=CC=N3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C)N2CCN(CC2)C3=CC=CC=N3)Br

InChI

InChI=1S/C19H23BrN4O/c1-14-6-7-17(16(20)13-14)22-19(25)15(2)23-9-11-24(12-10-23)18-5-3-4-8-21-18/h3-8,13,15H,9-12H2,1-2H3,(H,22,25)/t15-/m0/s1