4-(2-chloranylpyridin-4-yl)carbonyl-1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 4-(2-chloranylpyridin-4-yl)carbonyl-1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-(2-chloropyridine-4-carbonyl)-1-[(1-methylpyrazol-4-yl)methyl]-6-(3-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-[(2-chloro-4-pyridinyl)-oxomethyl]-1-[(1-methyl-4-pyrazolyl)methyl]-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-(2-chloropyridine-4-carbonyl)-1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-(2-chloroisonicotinoyl)-1-[(1-methylpyrazol-4-yl)methyl]-6-(3-pyridylmethoxy)-1,4-diazepan-2-one Formula: C22H23ClN6O3 MolecularWeight: 454.90942

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN2CC(CN(CC2=O)C(=O)C3=CC(=NC=C3)Cl)OCC4=CN=CC=C4

Isomeric SMILES

CN1C=C(C=N1)CN2CC(CN(CC2=O)C(=O)C3=CC(=NC=C3)Cl)OCC4=CN=CC=C4

InChI

InChI=1S/C22H23ClN6O3/c1-27-10-17(9-26-27)11-28-12-19(32-15-16-3-2-5-24-8-16)13-29(14-21(28)30)22(31)18-4-6-25-20(23)7-18/h2-10,19H,11-15H2,1H3