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

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-chloranyl-5-nitro-benzamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-chloro-5-nitro-benzamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-2-chloro-5-nitrobenzamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-chloro-5-nitrobenzamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-chloro-5-nitro-benzamide Formula: C19H22ClN5O4 MolecularWeight: 419.86208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN5O4/c20-16-6-5-14(25(27)28)11-15(16)19(26)21-7-10-29-18-12-17(22-13-23-18)24-8-3-1-2-4-9-24/h5-6,11-13H,1-4,7-10H2,(H,21,26)