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

Systemtic Name: N-[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-[3-chloro-4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-[3-chloro-4-(4-isovalerylpiperazino)phenyl]-5-(3-nitrophenyl)-2-furamide Formula: C26H27ClN4O5 MolecularWeight: 510.96938

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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(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C26H27ClN4O5/c1-17(2)14-25(32)30-12-10-29(11-13-30)22-7-6-19(16-21(22)27)28-26(33)24-9-8-23(36-24)18-4-3-5-20(15-18)31(34)35/h3-9,15-17H,10-14H2,1-2H3,(H,28,33)