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

Systemtic Name: methyl 5-[[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C24H30N4O3 MolecularWeight: 422.52

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CN3CCCN(CC3)CC4=CC=C(O4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CN3CCCN(CC3)CC4=CC=C(O4)C(=O)OC

InChI

InChI=1S/C24H30N4O3/c1-18-22(19(2)28(25-18)20-8-5-4-6-9-20)17-27-13-7-12-26(14-15-27)16-21-10-11-23(31-21)24(29)30-3/h4-6,8-11H,7,12-17H2,1-3H3