N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(phenylcarbonyl)benzamide

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(phenylcarbonyl)benzamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-benzoyl-benzamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-2-benzoylbenzamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-benzoylbenzamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-benzoyl-benzamide Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC(=NC=N2)OCCNC(=O)C3=CC=CC=C3C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C2=CC(=NC=N2)OCCNC(=O)C3=CC=CC=C3C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H28N4O3/c31-25(20-10-4-3-5-11-20)21-12-6-7-13-22(21)26(32)27-14-17-33-24-18-23(28-19-29-24)30-15-8-1-2-9-16-30/h3-7,10-13,18-19H,1-2,8-9,14-17H2,(H,27,32)