N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-4-methyl-3-nitro-benzamide Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O4/c1-15-6-7-16(12-17(15)25(27)28)20(26)21-8-11-29-19-13-18(22-14-23-19)24-9-4-2-3-5-10-24/h6-7,12-14H,2-5,8-11H2,1H3,(H,21,26)