methyl 3-[4-(5-ethyl-2-methyl-pyrazol-3-yl)carbonyl-6-[(3-methoxyphenyl)methoxy]-2-oxidanylidene-1,4-diazepan-1-yl]propanoate

Systemtic Name: methyl 3-[4-(5-ethyl-2-methyl-pyrazol-3-yl)carbonyl-6-[(3-methoxyphenyl)methoxy]-2-oxidanylidene-1,4-diazepan-1-yl]propanoate Openeye Name: methyl 3-[4-(5-ethyl-2-methyl-pyrazole-3-carbonyl)-6-[(3-methoxyphenyl)methoxy]-2-oxo-1,4-diazepan-1-yl]propanoate CAS Name: 3-[4-[(5-ethyl-2-methyl-3-pyrazolyl)-oxomethyl]-6-[(3-methoxyphenyl)methoxy]-2-oxo-1,4-diazepan-1-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(5-ethyl-2-methylpyrazole-3-carbonyl)-6-[(3-methoxyphenyl)methoxy]-2-oxo-1,4-diazepan-1-yl]propanoate Traditional Name: 3-[4-(5-ethyl-2-methyl-pyrazole-3-carbonyl)-2-keto-6-m-anisyloxy-1,4-diazepan-1-yl]propionic acid methyl ester Formula: C24H32N4O6 MolecularWeight: 472.53408

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1)C(=O)N2CC(CN(C(=O)C2)CCC(=O)OC)OCC3=CC(=CC=C3)OC)C

Isomeric SMILES

CCC1=NN(C(=C1)C(=O)N2CC(CN(C(=O)C2)CCC(=O)OC)OCC3=CC(=CC=C3)OC)C

InChI

InChI=1S/C24H32N4O6/c1-5-18-12-21(26(2)25-18)24(31)28-14-20(34-16-17-7-6-8-19(11-17)32-3)13-27(22(29)15-28)10-9-23(30)33-4/h6-8,11-12,20H,5,9-10,13-16H2,1-4H3