ethyl 3-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylcarbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylcarbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylcarbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C23H21FN6O5 MolecularWeight: 480.448443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C23H21FN6O5/c1-2-35-23(32)15-10-14(11-18(12-15)30(33)34)22(31)27-9-3-4-20-19(13-25)21(26)29(28-20)17-7-5-16(24)6-8-17/h5-8,10-12H,2-4,9,26H2,1H3,(H,27,31)