4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-phenethyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-phenethyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-phenethyl-6-(4-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-[(1,3-dimethyl-4-pyrazolyl)methyl]-1-phenethyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-phenethyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-phenethyl-6-(4-pyridylmethoxy)-1,4-diazepan-2-one Formula: C25H31N5O2 MolecularWeight: 433.54594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CN2CC(CN(C(=O)C2)CCC3=CC=CC=C3)OCC4=CC=NC=C4)C

Isomeric SMILES

CC1=NN(C=C1CN2CC(CN(C(=O)C2)CCC3=CC=CC=C3)OCC4=CC=NC=C4)C

InChI

InChI=1S/C25H31N5O2/c1-20-23(14-28(2)27-20)15-29-16-24(32-19-22-8-11-26-12-9-22)17-30(25(31)18-29)13-10-21-6-4-3-5-7-21/h3-9,11-12,14,24H,10,13,15-19H2,1-2H3