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

Systemtic Name: 4-[(5-methyl-1H-pyrazol-3-yl)carbonyl]-1-phenethyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-(5-methyl-1H-pyrazole-3-carbonyl)-1-phenethyl-6-(4-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-[(5-methyl-1H-pyrazol-3-yl)-oxomethyl]-1-phenethyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-(5-methyl-1H-pyrazole-3-carbonyl)-1-phenethyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-(5-methyl-1H-pyrazole-3-carbonyl)-1-phenethyl-6-(4-pyridylmethoxy)-1,4-diazepan-2-one Formula: C24H27N5O3 MolecularWeight: 433.50288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C(=O)N2CC(CN(C(=O)C2)CCC3=CC=CC=C3)OCC4=CC=NC=C4

Isomeric SMILES

CC1=CC(=NN1)C(=O)N2CC(CN(C(=O)C2)CCC3=CC=CC=C3)OCC4=CC=NC=C4

InChI

InChI=1S/C24H27N5O3/c1-18-13-22(27-26-18)24(31)29-15-21(32-17-20-7-10-25-11-8-20)14-28(23(30)16-29)12-9-19-5-3-2-4-6-19/h2-8,10-11,13,21H,9,12,14-17H2,1H3,(H,26,27)