1-[4-(2-nitrophenyl)-5-octanoyl-1-(phenylmethyl)-4H-pyridin-3-yl]octan-1-one

Systemtic Name: 1-[4-(2-nitrophenyl)-5-octanoyl-1-(phenylmethyl)-4H-pyridin-3-yl]octan-1-one Openeye Name: 1-[1-benzyl-4-(2-nitrophenyl)-5-octanoyl-4H-pyridin-3-yl]octan-1-one CAS Name: 1-[4-(2-nitrophenyl)-5-(1-oxooctyl)-1-(phenylmethyl)-4H-pyridin-3-yl]-1-octanone IUPAC Name: 1-[1-benzyl-4-(2-nitrophenyl)-5-octanoyl-4H-pyridin-3-yl]octan-1-one Traditional Name: 1-[1-benzyl-5-caprylyl-4-(2-nitrophenyl)-4H-pyridin-3-yl]octan-1-one Formula: C34H44N2O4 MolecularWeight: 544.72416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)C1=CN(C=C(C1C2=CC=CC=C2[N+](=O)[O-])C(=O)CCCCCCC)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCC(=O)C1=CN(C=C(C1C2=CC=CC=C2[N+](=O)[O-])C(=O)CCCCCCC)CC3=CC=CC=C3

InChI

InChI=1S/C34H44N2O4/c1-3-5-7-9-14-22-32(37)29-25-35(24-27-18-12-11-13-19-27)26-30(33(38)23-15-10-8-6-4-2)34(29)28-20-16-17-21-31(28)36(39)40/h11-13,16-21,25-26,34H,3-10,14-15,22-24H2,1-2H3