methyl 3-[1-[4-(azepan-1-ylcarbonyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]propanoate

Systemtic Name: methyl 3-[1-[4-(azepan-1-ylcarbonyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]propanoate Openeye Name: methyl 3-[1-[4-(azepane-1-carbonyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]propanoate CAS Name: 3-[1-[4-[1-azepanyl(oxo)methyl]phenyl]-3,5-dimethyl-4-pyrazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-[4-(azepane-1-carbonyl)phenyl]-3,5-dimethylpyrazol-4-yl]propanoate Traditional Name: 3-[1-[4-(azepane-1-carbonyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]propionic acid methyl ester Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)N3CCCCCC3)C)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)N3CCCCCC3)C)CCC(=O)OC

InChI

InChI=1S/C22H29N3O3/c1-16-20(12-13-21(26)28-3)17(2)25(23-16)19-10-8-18(9-11-19)22(27)24-14-6-4-5-7-15-24/h8-11H,4-7,12-15H2,1-3H3