azepan-1-yl-(2-pyrimidin-2-ylphenyl)methanone

Systemtic Name: azepan-1-yl-(2-pyrimidin-2-ylphenyl)methanone Openeye Name: azepan-1-yl-(2-pyrimidin-2-ylphenyl)methanone CAS Name: 1-azepanyl-[2-(2-pyrimidinyl)phenyl]methanone IUPAC Name: azepan-1-yl-(2-pyrimidin-2-ylphenyl)methanone Traditional Name: azepan-1-yl-[2-(2-pyrimidyl)phenyl]methanone Formula: C17H19N3O MolecularWeight: 281.35226

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=CC=C2C3=NC=CC=N3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=CC=C2C3=NC=CC=N3

InChI

InChI=1S/C17H19N3O/c21-17(20-12-5-1-2-6-13-20)15-9-4-3-8-14(15)16-18-10-7-11-19-16/h3-4,7-11H,1-2,5-6,12-13H2