6-methoxy-4-[2-(4-methylphenoxy)ethanoyl]-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one

Systemtic Name: 6-methoxy-4-[2-(4-methylphenoxy)ethanoyl]-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Openeye Name: 6-methoxy-4-[2-(4-methylphenoxy)acetyl]-1-(3-pyridylmethyl)-1,4-diazepan-2-one CAS Name: 6-methoxy-4-[2-(4-methylphenoxy)-1-oxoethyl]-1-(3-pyridinylmethyl)-1,4-diazepan-2-one IUPAC Name: 6-methoxy-4-[2-(4-methylphenoxy)acetyl]-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Traditional Name: 6-methoxy-4-[2-(4-methylphenoxy)acetyl]-1-(3-pyridylmethyl)-1,4-diazepan-2-one Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(=O)N2CC(CN(C(=O)C2)CC3=CN=CC=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)OCC(=O)N2CC(CN(C(=O)C2)CC3=CN=CC=C3)OC

InChI

InChI=1S/C21H25N3O4/c1-16-5-7-18(8-6-16)28-15-21(26)24-13-19(27-2)12-23(20(25)14-24)11-17-4-3-9-22-10-17/h3-10,19H,11-15H2,1-2H3