N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-6-bromanyl-2-oxidanylidene-chromene-3-carboxamide

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-6-bromanyl-2-oxidanylidene-chromene-3-carboxamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-6-bromo-2-oxo-chromene-3-carboxamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-6-bromo-2-oxo-1-benzopyran-3-carboxamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-6-bromo-2-oxochromene-3-carboxamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-6-bromo-2-keto-chromene-3-carboxamide Formula: C22H23BrN4O4 MolecularWeight: 487.34642

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC(=NC=N2)OCCNC(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O

Isomeric SMILES

C1CCCN(CC1)C2=CC(=NC=N2)OCCNC(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O

InChI

InChI=1S/C22H23BrN4O4/c23-16-5-6-18-15(11-16)12-17(22(29)31-18)21(28)24-7-10-30-20-13-19(25-14-26-20)27-8-3-1-2-4-9-27/h5-6,11-14H,1-4,7-10H2,(H,24,28)