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

Systemtic Name: methyl 5-[[4-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[(5-tert-butyl-2-methyl-3-pyrazolyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(5-tert-butyl-2-methylpyrazole-3-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN(CC2)CC3=CC=C(O3)C(=O)OC)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN(CC2)CC3=CC=C(O3)C(=O)OC)C

InChI

InChI=1S/C21H30N4O4/c1-21(2,3)18-13-16(23(4)22-18)19(26)25-10-6-9-24(11-12-25)14-15-7-8-17(29-15)20(27)28-5/h7-8,13H,6,9-12,14H2,1-5H3