3-[(4-methyl-3-nitro-phenyl)methyl]-5-(4-methyl-3-pyrrolidin-1-yl-phenyl)oxan-2-one

Systemtic Name: 3-[(4-methyl-3-nitro-phenyl)methyl]-5-(4-methyl-3-pyrrolidin-1-yl-phenyl)oxan-2-one Openeye Name: 3-[(4-methyl-3-nitro-phenyl)methyl]-5-(4-methyl-3-pyrrolidin-1-yl-phenyl)tetrahydropyran-2-one CAS Name: 3-[(4-methyl-3-nitrophenyl)methyl]-5-[4-methyl-3-(1-pyrrolidinyl)phenyl]-2-oxanone IUPAC Name: 3-[(4-methyl-3-nitrophenyl)methyl]-5-(4-methyl-3-pyrrolidin-1-ylphenyl)oxan-2-one Traditional Name: 3-(4-methyl-3-nitro-benzyl)-5-(4-methyl-3-pyrrolidino-phenyl)tetrahydropyran-2-one Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2CC(C(=O)OC2)CC3=CC(=C(C=C3)C)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C2CC(C(=O)OC2)CC3=CC(=C(C=C3)C)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C24H28N2O4/c1-16-6-8-19(14-22(16)25-9-3-4-10-25)21-13-20(24(27)30-15-21)11-18-7-5-17(2)23(12-18)26(28)29/h5-8,12,14,20-21H,3-4,9-11,13,15H2,1-2H3