4-(5-ethyl-2-methyl-pyrazol-3-yl)carbonyl-1-[(4-methoxyphenyl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 4-(5-ethyl-2-methyl-pyrazol-3-yl)carbonyl-1-[(4-methoxyphenyl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-(5-ethyl-2-methyl-pyrazole-3-carbonyl)-1-[(4-methoxyphenyl)methyl]-6-(4-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-[(5-ethyl-2-methyl-3-pyrazolyl)-oxomethyl]-1-[(4-methoxyphenyl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-(5-ethyl-2-methylpyrazole-3-carbonyl)-1-[(4-methoxyphenyl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-(5-ethyl-2-methyl-pyrazole-3-carbonyl)-1-p-anisyl-6-(4-pyridylmethoxy)-1,4-diazepan-2-one Formula: C26H31N5O4 MolecularWeight: 477.55544

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1)C(=O)N2CC(CN(C(=O)C2)CC3=CC=C(C=C3)OC)OCC4=CC=NC=C4)C

Isomeric SMILES

CCC1=NN(C(=C1)C(=O)N2CC(CN(C(=O)C2)CC3=CC=C(C=C3)OC)OCC4=CC=NC=C4)C

InChI

InChI=1S/C26H31N5O4/c1-4-21-13-24(29(2)28-21)26(33)31-16-23(35-18-20-9-11-27-12-10-20)15-30(25(32)17-31)14-19-5-7-22(34-3)8-6-19/h5-13,23H,4,14-18H2,1-3H3