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

Systemtic Name: 1-[(1-methylpyrazol-4-yl)methyl]-4-(6-methylpyridin-3-yl)carbonyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-[(1-methylpyrazol-4-yl)methyl]-4-(6-methylpyridine-3-carbonyl)-6-(4-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-[(1-methyl-4-pyrazolyl)methyl]-4-[(6-methyl-3-pyridinyl)-oxomethyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-[(1-methylpyrazol-4-yl)methyl]-4-(6-methylpyridine-3-carbonyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-(6-methylnicotinoyl)-1-[(1-methylpyrazol-4-yl)methyl]-6-(4-pyridylmethoxy)-1,4-diazepan-2-one Formula: C23H26N6O3 MolecularWeight: 434.49094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)N2CC(CN(C(=O)C2)CC3=CN(N=C3)C)OCC4=CC=NC=C4

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)N2CC(CN(C(=O)C2)CC3=CN(N=C3)C)OCC4=CC=NC=C4

InChI

InChI=1S/C23H26N6O3/c1-17-3-4-20(10-25-17)23(31)29-14-21(32-16-18-5-7-24-8-6-18)13-28(22(30)15-29)12-19-9-26-27(2)11-19/h3-11,21H,12-16H2,1-2H3