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

Systemtic Name: N-[5-chloranyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-5-(4-methyl-2-nitro-phenyl)furan-2-carboxamide Openeye Name: N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-5-(4-methyl-2-nitro-phenyl)furan-2-carboxamide CAS Name: N-[5-chloro-2-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-5-(4-methyl-2-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-5-(4-methyl-2-nitrophenyl)furan-2-carboxamide Traditional Name: N-[5-chloro-2-(4-isovalerylpiperazino)phenyl]-5-(4-methyl-2-nitro-phenyl)-2-furamide Formula: C27H29ClN4O5 MolecularWeight: 524.99596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CC=C(O2)C(=O)NC3=C(C=CC(=C3)Cl)N4CCN(CC4)C(=O)CC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CC=C(O2)C(=O)NC3=C(C=CC(=C3)Cl)N4CCN(CC4)C(=O)CC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C27H29ClN4O5/c1-17(2)14-26(33)31-12-10-30(11-13-31)22-7-5-19(28)16-21(22)29-27(34)25-9-8-24(37-25)20-6-4-18(3)15-23(20)32(35)36/h4-9,15-17H,10-14H2,1-3H3,(H,29,34)