4-[2-(1-methylpyrrol-3-yl)ethanoyl]-1-(phenylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 4-[2-(1-methylpyrrol-3-yl)ethanoyl]-1-(phenylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-benzyl-4-[2-(1-methylpyrrol-3-yl)acetyl]-6-(3-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-[2-(1-methyl-3-pyrrolyl)-1-oxoethyl]-1-(phenylmethyl)-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-benzyl-4-[2-(1-methylpyrrol-3-yl)acetyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-benzyl-4-[2-(1-methylpyrrol-3-yl)acetyl]-6-(3-pyridylmethoxy)-1,4-diazepan-2-one Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=C1)CC(=O)N2CC(CN(C(=O)C2)CC3=CC=CC=C3)OCC4=CN=CC=C4

Isomeric SMILES

CN1C=CC(=C1)CC(=O)N2CC(CN(C(=O)C2)CC3=CC=CC=C3)OCC4=CN=CC=C4

InChI

InChI=1S/C25H28N4O3/c1-27-11-9-21(14-27)12-24(30)29-17-23(32-19-22-8-5-10-26-13-22)16-28(25(31)18-29)15-20-6-3-2-4-7-20/h2-11,13-14,23H,12,15-19H2,1H3