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

Systemtic Name: 4-chloranyl-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-chloro-3-nitro-benzamide CAS Name: 4-chloro-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-chloro-3-nitrobenzamide Traditional Name: N-[4-(4-benzylpiperidino)-3-(3-pyridylmethylcarbamoyl)phenyl]-4-chloro-3-nitro-benzamide Formula: C32H30ClN5O4 MolecularWeight: 584.0647

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C(=O)NCC5=CN=CC=C5

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C32H30ClN5O4/c33-28-10-8-25(18-30(28)38(41)42)31(39)36-26-9-11-29(27(19-26)32(40)35-21-24-7-4-14-34-20-24)37-15-12-23(13-16-37)17-22-5-2-1-3-6-22/h1-11,14,18-20,23H,12-13,15-17,21H2,(H,35,40)(H,36,39)