N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-methoxy-4-phenylmethoxy-benzamide

Systemtic Name: N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-methoxy-4-phenylmethoxy-benzamide Openeye Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-benzyloxy-3-methoxy-benzamide CAS Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propyl]-3-methoxy-4-phenylmethoxybenzamide IUPAC Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-methoxy-4-phenylmethoxybenzamide Traditional Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-benzoxy-3-methoxy-benzamide Formula: C28H26FN5O3 MolecularWeight: 499.536143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=C(C=C3)F)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=C(C=C3)F)OCC4=CC=CC=C4

InChI

InChI=1S/C28H26FN5O3/c1-36-26-16-20(9-14-25(26)37-18-19-6-3-2-4-7-19)28(35)32-15-5-8-24-23(17-30)27(31)34(33-24)22-12-10-21(29)11-13-22/h2-4,6-7,9-14,16H,5,8,15,18,31H2,1H3,(H,32,35)