(phenylmethyl) 2-[4-[2-(3-thiophen-2-ylpyrazol-1-yl)ethanoyl]-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-[2-(3-thiophen-2-ylpyrazol-1-yl)ethanoyl]-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-[2-[3-(2-thienyl)pyrazol-1-yl]acetyl]-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[1-oxo-2-(3-thiophen-2-yl-1-pyrazolyl)ethyl]-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-[2-[3-(2-thienyl)pyrazol-1-yl]acetyl]-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CN2C=CC(=N2)C3=CC=CS3)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CN2C=CC(=N2)C3=CC=CS3)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3S/c28-22(16-27-12-9-20(24-27)21-8-4-15-31-21)26-11-5-10-25(13-14-26)17-23(29)30-18-19-6-2-1-3-7-19/h1-4,6-9,12,15H,5,10-11,13-14,16-18H2