N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide

Systemtic Name: N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide Openeye Name: N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide CAS Name: N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-2-(5-methyl-3-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(5-methyl-3-nitropyrazol-1-yl)butanamide Traditional Name: N-(1-m-anisyl-3,5-dimethyl-pyrazol-4-yl)-2-(5-methyl-3-nitro-pyrazol-1-yl)butyramide Formula: C21H26N6O4 MolecularWeight: 426.46894

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(N(N=C1C)CC2=CC(=CC=C2)OC)C)N3C(=CC(=N3)[N+](=O)[O-])C

Isomeric SMILES

CCC(C(=O)NC1=C(N(N=C1C)CC2=CC(=CC=C2)OC)C)N3C(=CC(=N3)[N+](=O)[O-])C

InChI

InChI=1S/C21H26N6O4/c1-6-18(26-13(2)10-19(24-26)27(29)30)21(28)22-20-14(3)23-25(15(20)4)12-16-8-7-9-17(11-16)31-5/h7-11,18H,6,12H2,1-5H3,(H,22,28)