N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-5-bromanyl-2-chloranyl-benzamide

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-5-bromanyl-2-chloranyl-benzamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-5-bromo-2-chloro-benzamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-5-bromo-2-chlorobenzamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-5-bromo-2-chlorobenzamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-5-bromo-2-chloro-benzamide Formula: C19H22BrClN4O2 MolecularWeight: 453.76058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrClN4O2/c20-14-5-6-16(21)15(11-14)19(26)22-7-10-27-18-12-17(23-13-24-18)25-8-3-1-2-4-9-25/h5-6,11-13H,1-4,7-10H2,(H,22,26)