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

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-ethoxy-benzamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-ethoxy-benzamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-2-ethoxybenzamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-ethoxybenzamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-ethoxy-benzamide Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3

InChI

InChI=1S/C21H28N4O3/c1-2-27-18-10-6-5-9-17(18)21(26)22-11-14-28-20-15-19(23-16-24-20)25-12-7-3-4-8-13-25/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3,(H,22,26)