N-[(2S)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]furan-2-carboxamide

Systemtic Name: N-[(2S)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-1-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-2-methyl-propyl]furan-2-carboxamide CAS Name: N-[(2S)-1-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-1-[4-(4-chlorobenzyl)piperazine-1-carbonyl]-2-methyl-propyl]-2-furamide Formula: C21H26ClN3O3 MolecularWeight: 403.90244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)CC2=CC=C(C=C2)Cl)NC(=O)C3=CC=CO3

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCN(CC1)CC2=CC=C(C=C2)Cl)NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H26ClN3O3/c1-15(2)19(23-20(26)18-4-3-13-28-18)21(27)25-11-9-24(10-12-25)14-16-5-7-17(22)8-6-16/h3-8,13,15,19H,9-12,14H2,1-2H3,(H,23,26)/t19-/m0/s1