4-(2,5-dimethylpyrazol-3-yl)carbonyl-1-phenethyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 4-(2,5-dimethylpyrazol-3-yl)carbonyl-1-phenethyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-(2,5-dimethylpyrazole-3-carbonyl)-1-phenethyl-6-(4-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-[(2,5-dimethyl-3-pyrazolyl)-oxomethyl]-1-phenethyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-(2,5-dimethylpyrazole-3-carbonyl)-1-phenethyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-(2,5-dimethylpyrazole-3-carbonyl)-1-phenethyl-6-(4-pyridylmethoxy)-1,4-diazepan-2-one Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)N2CC(CN(C(=O)C2)CCC3=CC=CC=C3)OCC4=CC=NC=C4)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)N2CC(CN(C(=O)C2)CCC3=CC=CC=C3)OCC4=CC=NC=C4)C

InChI

InChI=1S/C25H29N5O3/c1-19-14-23(28(2)27-19)25(32)30-16-22(33-18-21-8-11-26-12-9-21)15-29(24(31)17-30)13-10-20-6-4-3-5-7-20/h3-9,11-12,14,22H,10,13,15-18H2,1-2H3