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

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-5-chloranyl-2-methoxy-benzamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-5-chloro-2-methoxy-benzamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-5-chloro-2-methoxybenzamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-5-chloro-2-methoxybenzamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-5-chloro-2-methoxy-benzamide Formula: C20H25ClN4O3 MolecularWeight: 404.8905

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3

InChI

InChI=1S/C20H25ClN4O3/c1-27-17-7-6-15(21)12-16(17)20(26)22-8-11-28-19-13-18(23-14-24-19)25-9-4-2-3-5-10-25/h6-7,12-14H,2-5,8-11H2,1H3,(H,22,26)