5-(4-bromophenyl)-N-[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]furan-2-carboxamide

Systemtic Name: 5-(4-bromophenyl)-N-[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]furan-2-carboxamide Openeye Name: 5-(4-bromophenyl)-N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]furan-2-carboxamide CAS Name: 5-(4-bromophenyl)-N-[3-chloro-4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-2-furancarboxamide IUPAC Name: 5-(4-bromophenyl)-N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]furan-2-carboxamide Traditional Name: 5-(4-bromophenyl)-N-[3-chloro-4-(4-isovalerylpiperazino)phenyl]-2-furamide Formula: C26H27BrClN3O3 MolecularWeight: 544.86788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br)Cl

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br)Cl

InChI

InChI=1S/C26H27BrClN3O3/c1-17(2)15-25(32)31-13-11-30(12-14-31)22-8-7-20(16-21(22)28)29-26(33)24-10-9-23(34-24)18-3-5-19(27)6-4-18/h3-10,16-17H,11-15H2,1-2H3,(H,29,33)