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

Systemtic Name: methyl 4-[[4-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonyl-1,4-diazepan-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)-1,4-diazepan-1-yl]methyl]benzoate CAS Name: 4-[[4-[(5-tert-butyl-2-methyl-3-pyrazolyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(5-tert-butyl-2-methylpyrazole-3-carbonyl)-1,4-diazepan-1-yl]methyl]benzoate Traditional Name: 4-[[4-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)-1,4-diazepan-1-yl]methyl]benzoic acid methyl 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)CC3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C23H32N4O3/c1-23(2,3)20-15-19(25(4)24-20)21(28)27-12-6-11-26(13-14-27)16-17-7-9-18(10-8-17)22(29)30-5/h7-10,15H,6,11-14,16H2,1-5H3