4-methyl-3-nitro-N-[4-[4-(phenylmethyl)piperidin-1-yl]-3-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide

Systemtic Name: 4-methyl-3-nitro-N-[4-[4-(phenylmethyl)piperidin-1-yl]-3-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide Openeye Name: N-[4-(4-benzyl-1-piperidyl)-3-(3-pyridylmethylcarbamoyl)phenyl]-4-methyl-3-nitro-benzamide CAS Name: 4-methyl-3-nitro-N-[3-[oxo-(3-pyridinylmethylamino)methyl]-4-[4-(phenylmethyl)-1-piperidinyl]phenyl]benzamide IUPAC Name: N-[4-(4-benzylpiperidin-1-yl)-3-(pyridin-3-ylmethylcarbamoyl)phenyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[4-(4-benzylpiperidino)-3-(3-pyridylmethylcarbamoyl)phenyl]-4-methyl-3-nitro-benzamide Formula: C33H33N5O4 MolecularWeight: 563.64622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCC(CC3)CC4=CC=CC=C4)C(=O)NCC5=CN=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCC(CC3)CC4=CC=CC=C4)C(=O)NCC5=CN=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C33H33N5O4/c1-23-9-10-27(19-31(23)38(41)42)32(39)36-28-11-12-30(29(20-28)33(40)35-22-26-8-5-15-34-21-26)37-16-13-25(14-17-37)18-24-6-3-2-4-7-24/h2-12,15,19-21,25H,13-14,16-18,22H2,1H3,(H,35,40)(H,36,39)