(phenylmethyl) 2-[4-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonyl-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonyl-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[(5-tert-butyl-2-methyl-3-pyrazolyl)-oxomethyl]-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(5-tert-butyl-2-methylpyrazole-3-carbonyl)-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C23H32N4O3 MolecularWeight: 412.52518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN(CC2)CC(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN(CC2)CC(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C23H32N4O3/c1-23(2,3)20-15-19(25(4)24-20)22(29)27-12-8-11-26(13-14-27)16-21(28)30-17-18-9-6-5-7-10-18/h5-7,9-10,15H,8,11-14,16-17H2,1-4H3