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

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-4,5-dimethoxy-2-nitro-benzamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-4,5-dimethoxy-2-nitro-benzamide Formula: C21H27N5O6 MolecularWeight: 445.46898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H27N5O6/c1-30-17-11-15(16(26(28)29)12-18(17)31-2)21(27)22-7-10-32-20-13-19(23-14-24-20)25-8-5-3-4-6-9-25/h11-14H,3-10H2,1-2H3,(H,22,27)