N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(4-bromophenyl)ethanamide

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(4-bromophenyl)ethanamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(4-bromophenyl)acetamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-2-(4-bromophenyl)acetamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(4-bromophenyl)acetamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(4-bromophenyl)acetamide Formula: C20H25BrN4O2 MolecularWeight: 433.3421

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC(=NC=N2)OCCNC(=O)CC3=CC=C(C=C3)Br

Isomeric SMILES

C1CCCN(CC1)C2=CC(=NC=N2)OCCNC(=O)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H25BrN4O2/c21-17-7-5-16(6-8-17)13-19(26)22-9-12-27-20-14-18(23-15-24-20)25-10-3-1-2-4-11-25/h5-8,14-15H,1-4,9-13H2,(H,22,26)