N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-4-bromanyl-3,5-dimethoxy-benzamide

Systemtic Name: N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-4-bromanyl-3,5-dimethoxy-benzamide Openeye Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-4-bromo-3,5-dimethoxy-benzamide CAS Name: N-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propyl]-4-bromo-3,5-dimethoxybenzamide IUPAC Name: N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-4-bromo-3,5-dimethoxybenzamide Traditional Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-4-bromo-3,5-dimethoxy-benzamide Formula: C22H22BrN5O3 MolecularWeight: 484.34578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=CC=C3

InChI

InChI=1S/C22H22BrN5O3/c1-30-18-11-14(12-19(31-2)20(18)23)22(29)26-10-6-9-17-16(13-24)21(25)28(27-17)15-7-4-3-5-8-15/h3-5,7-8,11-12H,6,9-10,25H2,1-2H3,(H,26,29)