N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-1-phenyl-propyl]-5-nitro-furan-2-carboxamide

Systemtic Name: N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-1-phenyl-propyl]-5-nitro-furan-2-carboxamide Openeye Name: N-[3-[4-[3-(2-methylpropanoylamino)phenyl]-1-piperidyl]-1-phenyl-propyl]-5-nitro-furan-2-carboxamide CAS Name: N-[3-[4-[3-[(2-methyl-1-oxopropyl)amino]phenyl]-1-piperidinyl]-1-phenylpropyl]-5-nitro-2-furancarboxamide IUPAC Name: N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-1-phenylpropyl]-5-nitrofuran-2-carboxamide Traditional Name: N-[3-[4-[3-(isobutyrylamino)phenyl]piperidino]-1-phenyl-propyl]-5-nitro-2-furamide Formula: C29H34N4O5 MolecularWeight: 518.60406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC(=C1)C2CCN(CC2)CCC(C3=CC=CC=C3)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)C2CCN(CC2)CCC(C3=CC=CC=C3)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C29H34N4O5/c1-20(2)28(34)30-24-10-6-9-23(19-24)21-13-16-32(17-14-21)18-15-25(22-7-4-3-5-8-22)31-29(35)26-11-12-27(38-26)33(36)37/h3-12,19-21,25H,13-18H2,1-2H3,(H,30,34)(H,31,35)