methyl 5-[[4-(1-phenyl-5-propyl-pyrazol-4-yl)carbonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(1-phenyl-5-propyl-pyrazol-4-yl)carbonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(1-phenyl-5-propyl-pyrazole-4-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[oxo-(1-phenyl-5-propyl-4-pyrazolyl)methyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(1-phenyl-5-propylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(1-phenyl-5-propyl-pyrazole-4-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCCN(CC3)CC4=CC=C(O4)C(=O)OC

Isomeric SMILES

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCCN(CC3)CC4=CC=C(O4)C(=O)OC

InChI

InChI=1S/C25H30N4O4/c1-3-8-22-21(17-26-29(22)19-9-5-4-6-10-19)24(30)28-14-7-13-27(15-16-28)18-20-11-12-23(33-20)25(31)32-2/h4-6,9-12,17H,3,7-8,13-16,18H2,1-2H3