N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3,4,5-trimethoxy-benzamide Formula: C22H30N4O5 MolecularWeight: 430.4974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3

InChI

InChI=1S/C22H30N4O5/c1-28-17-12-16(13-18(29-2)21(17)30-3)22(27)23-8-11-31-20-14-19(24-15-25-20)26-9-6-4-5-7-10-26/h12-15H,4-11H2,1-3H3,(H,23,27)