(phenylmethyl) 2-[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C26H32N4O2 MolecularWeight: 432.55788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CN3CCCN(CC3)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CN3CCCN(CC3)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O2/c1-21-25(22(2)30(27-21)24-12-7-4-8-13-24)18-28-14-9-15-29(17-16-28)19-26(31)32-20-23-10-5-3-6-11-23/h3-8,10-13H,9,14-20H2,1-2H3