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

Systemtic Name: 4-(2-chloranylpyridin-4-yl)carbonyl-1-[(4-methoxyphenyl)methyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-(2-chloropyridine-4-carbonyl)-1-[(4-methoxyphenyl)methyl]-6-(3-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-[(2-chloro-4-pyridinyl)-oxomethyl]-1-[(4-methoxyphenyl)methyl]-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-(2-chloropyridine-4-carbonyl)-1-[(4-methoxyphenyl)methyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-(2-chloroisonicotinoyl)-1-p-anisyl-6-(3-pyridylmethoxy)-1,4-diazepan-2-one Formula: C25H25ClN4O4 MolecularWeight: 480.9434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CC(CN(CC2=O)C(=O)C3=CC(=NC=C3)Cl)OCC4=CN=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CN2CC(CN(CC2=O)C(=O)C3=CC(=NC=C3)Cl)OCC4=CN=CC=C4

InChI

InChI=1S/C25H25ClN4O4/c1-33-21-6-4-18(5-7-21)13-29-14-22(34-17-19-3-2-9-27-12-19)15-30(16-24(29)31)25(32)20-8-10-28-23(26)11-20/h2-12,22H,13-17H2,1H3