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

Systemtic Name: N-[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-5-(4-methoxy-2-nitro-phenyl)furan-2-carboxamide Openeye Name: N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-5-(4-methoxy-2-nitro-phenyl)furan-2-carboxamide CAS Name: N-[3-chloro-4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-5-(4-methoxy-2-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide Traditional Name: N-[3-chloro-4-(4-isovalerylpiperazino)phenyl]-5-(4-methoxy-2-nitro-phenyl)-2-furamide Formula: C27H29ClN4O6 MolecularWeight: 540.99536

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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=C(C=C(C=C4)OC)[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=C(C=C(C=C4)OC)[N+](=O)[O-])Cl

InChI

InChI=1S/C27H29ClN4O6/c1-17(2)14-26(33)31-12-10-30(11-13-31)22-7-4-18(15-21(22)28)29-27(34)25-9-8-24(38-25)20-6-5-19(37-3)16-23(20)32(35)36/h4-9,15-17H,10-14H2,1-3H3,(H,29,34)