(2S)-N-(3-bromophenyl)-2-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]propanamide

Systemtic Name: (2S)-N-(3-bromophenyl)-2-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]propanamide Openeye Name: (2S)-N-(3-bromophenyl)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]propanamide CAS Name: (2S)-N-(3-bromophenyl)-2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]propanamide IUPAC Name: (2S)-N-(3-bromophenyl)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]propanamide Traditional Name: (2S)-N-(3-bromophenyl)-2-[4-(4-chlorobenzoyl)piperazino]propionamide Formula: C20H21BrClN3O2 MolecularWeight: 450.75664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Br)N2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)Br)N2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21BrClN3O2/c1-14(19(26)23-18-4-2-3-16(21)13-18)24-9-11-25(12-10-24)20(27)15-5-7-17(22)8-6-15/h2-8,13-14H,9-12H2,1H3,(H,23,26)/t14-/m0/s1