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

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-nitro-benzamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-nitro-benzamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-2-nitrobenzamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-nitrobenzamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-nitro-benzamide Formula: C19H23N5O4 MolecularWeight: 385.41702

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC(=NC=N2)OCCNC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=CC(=NC=N2)OCCNC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H23N5O4/c25-19(15-7-3-4-8-16(15)24(26)27)20-9-12-28-18-13-17(21-14-22-18)23-10-5-1-2-6-11-23/h3-4,7-8,13-14H,1-2,5-6,9-12H2,(H,20,25)