azepan-1-yl-(2-pyrimidin-4-ylphenyl)methanone

Systemtic Name: azepan-1-yl-(2-pyrimidin-4-ylphenyl)methanone Openeye Name: azepan-1-yl-(2-pyrimidin-4-ylphenyl)methanone CAS Name: 1-azepanyl-[2-(4-pyrimidinyl)phenyl]methanone IUPAC Name: azepan-1-yl-(2-pyrimidin-4-ylphenyl)methanone Traditional Name: azepan-1-yl-[2-(4-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=NC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=CC=C2C3=NC=NC=C3

InChI

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