N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(4-nitrophenyl)ethanamide

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(4-nitrophenyl)ethanamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(4-nitrophenyl)acetamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-2-(4-nitrophenyl)acetamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(4-nitrophenyl)acetamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(4-nitrophenyl)acetamide Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC(=NC=N2)OCCNC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=CC(=NC=N2)OCCNC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O4/c26-19(13-16-5-7-17(8-6-16)25(27)28)21-9-12-29-20-14-18(22-15-23-20)24-10-3-1-2-4-11-24/h5-8,14-15H,1-4,9-13H2,(H,21,26)