1-[5-butanoyl-4-(3-nitrophenyl)-1-(phenylmethyl)-4H-pyridin-3-yl]butan-1-one

Systemtic Name: 1-[5-butanoyl-4-(3-nitrophenyl)-1-(phenylmethyl)-4H-pyridin-3-yl]butan-1-one Openeye Name: 1-[1-benzyl-5-butanoyl-4-(3-nitrophenyl)-4H-pyridin-3-yl]butan-1-one CAS Name: 1-[4-(3-nitrophenyl)-5-(1-oxobutyl)-1-(phenylmethyl)-4H-pyridin-3-yl]-1-butanone IUPAC Name: 1-[1-benzyl-5-butanoyl-4-(3-nitrophenyl)-4H-pyridin-3-yl]butan-1-one Traditional Name: 1-[1-benzyl-5-butyryl-4-(3-nitrophenyl)-4H-pyridin-3-yl]butan-1-one Formula: C26H28N2O4 MolecularWeight: 432.51152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O4/c1-3-9-24(29)22-17-27(16-19-11-6-5-7-12-19)18-23(25(30)10-4-2)26(22)20-13-8-14-21(15-20)28(31)32/h5-8,11-15,17-18,26H,3-4,9-10,16H2,1-2H3