N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3,4-dimethoxy-5-prop-2-enyl-benzamide

Systemtic Name: N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3,4-dimethoxy-5-prop-2-enyl-benzamide Openeye Name: 3-allyl-N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4,5-dimethoxy-benzamide CAS Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propyl]-3,4-dimethoxy-5-prop-2-enylbenzamide IUPAC Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3,4-dimethoxy-5-prop-2-enylbenzamide Traditional Name: 3-allyl-N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4,5-dimethoxy-benzamide Formula: C25H26FN5O3 MolecularWeight: 463.504043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)CC=C)C(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC(=CC(=C1OC)CC=C)C(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=C(C=C3)F

InChI

InChI=1S/C25H26FN5O3/c1-4-6-16-13-17(14-22(33-2)23(16)34-3)25(32)29-12-5-7-21-20(15-27)24(28)31(30-21)19-10-8-18(26)9-11-19/h4,8-11,13-14H,1,5-7,12,28H2,2-3H3,(H,29,32)