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

Systemtic Name: 1-[4-(3-nitrophenyl)-5-octanoyl-1-(phenylmethyl)-4H-pyridin-3-yl]octan-1-one Openeye Name: 1-[1-benzyl-4-(3-nitrophenyl)-5-octanoyl-4H-pyridin-3-yl]octan-1-one CAS Name: 1-[4-(3-nitrophenyl)-5-(1-oxooctyl)-1-(phenylmethyl)-4H-pyridin-3-yl]-1-octanone IUPAC Name: 1-[1-benzyl-4-(3-nitrophenyl)-5-octanoyl-4H-pyridin-3-yl]octan-1-one Traditional Name: 1-[1-benzyl-5-caprylyl-4-(3-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/c1-3-5-7-9-14-21-32(37)30-25-35(24-27-17-12-11-13-18-27)26-31(33(38)22-15-10-8-6-4-2)34(30)28-19-16-20-29(23-28)36(39)40/h11-13,16-20,23,25-26,34H,3-10,14-15,21-22,24H2,1-2H3