2-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(6-naphthalen-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(6-naphthalen-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(2,3-dihydrobenzofuran-5-yl)-1-[4-[6-(2-naphthyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone CAS Name: 2-(2,3-dihydrobenzofuran-5-yl)-1-[4-[6-(2-naphthalenyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(6-naphthalen-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-coumaran-5-yl-1-[4-[6-(2-naphthyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone Formula: C29H28N4O2 MolecularWeight: 464.55822

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC2=CC3=C(C=C2)OCC3)C4=NC=NC(=C4)C5=CC6=CC=CC=C6C=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC2=CC3=C(C=C2)OCC3)C4=NC=NC(=C4)C5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C29H28N4O2/c34-29(17-21-6-9-27-25(16-21)10-15-35-27)33-12-3-11-32(13-14-33)28-19-26(30-20-31-28)24-8-7-22-4-1-2-5-23(22)18-24/h1-2,4-9,16,18-20H,3,10-15,17H2