N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(1,2-benzoxazol-3-yl)ethanamide

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(1,2-benzoxazol-3-yl)ethanamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(1,2-benzoxazol-3-yl)acetamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-2-(1,2-benzoxazol-3-yl)acetamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(1,2-benzoxazol-3-yl)acetamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-indoxazen-3-yl-acetamide Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC(=NC=N2)OCCNC(=O)CC3=NOC4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)C2=CC(=NC=N2)OCCNC(=O)CC3=NOC4=CC=CC=C43

InChI

InChI=1S/C21H25N5O3/c27-20(13-17-16-7-3-4-8-18(16)29-25-17)22-9-12-28-21-14-19(23-15-24-21)26-10-5-1-2-6-11-26/h3-4,7-8,14-15H,1-2,5-6,9-13H2,(H,22,27)