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

Systemtic Name: N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-5-(4-methyl-2-nitro-phenyl)furan-2-carboxamide Openeye Name: N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-5-(4-methyl-2-nitro-phenyl)furan-2-carboxamide CAS Name: 5-(4-methyl-2-nitrophenyl)-N-[4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-2-furancarboxamide IUPAC Name: N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-5-(4-methyl-2-nitrophenyl)furan-2-carboxamide Traditional Name: N-[4-(4-isovalerylpiperazino)phenyl]-5-(4-methyl-2-nitro-phenyl)-2-furamide Formula: C27H30N4O5 MolecularWeight: 490.5509

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N4O5/c1-18(2)16-26(32)30-14-12-29(13-15-30)21-7-5-20(6-8-21)28-27(33)25-11-10-24(36-25)22-9-4-19(3)17-23(22)31(34)35/h4-11,17-18H,12-16H2,1-3H3,(H,28,33)