N-[1-(4-naphthalen-2-ylpyrimidin-2-yl)azepan-4-yl]methanamide

Systemtic Name: N-[1-(4-naphthalen-2-ylpyrimidin-2-yl)azepan-4-yl]methanamide Openeye Name: N-[1-[4-(2-naphthyl)pyrimidin-2-yl]azepan-4-yl]formamide CAS Name: N-[1-[4-(2-naphthalenyl)-2-pyrimidinyl]-4-azepanyl]formamide IUPAC Name: N-[1-(4-naphthalen-2-ylpyrimidin-2-yl)azepan-4-yl]formamide Traditional Name: N-[1-[4-(2-naphthyl)pyrimidin-2-yl]azepan-4-yl]formamide Formula: C21H22N4O MolecularWeight: 346.42558

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)C2=NC=CC(=N2)C3=CC4=CC=CC=C4C=C3)NC=O

Isomeric SMILES

C1CC(CCN(C1)C2=NC=CC(=N2)C3=CC4=CC=CC=C4C=C3)NC=O

InChI

InChI=1S/C21H22N4O/c26-15-23-19-6-3-12-25(13-10-19)21-22-11-9-20(24-21)18-8-7-16-4-1-2-5-17(16)14-18/h1-2,4-5,7-9,11,14-15,19H,3,6,10,12-13H2,(H,23,26)