6-(4-hydroxyphenyl)-2-[3-(1,4-oxazepan-4-ylmethyl)phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-(4-hydroxyphenyl)-2-[3-(1,4-oxazepan-4-ylmethyl)phenyl]-1H-pyrimidin-4-one Openeye Name: 6-(4-hydroxyphenyl)-2-[3-(1,4-oxazepan-4-ylmethyl)phenyl]-1H-pyrimidin-4-one CAS Name: 6-(4-hydroxyphenyl)-2-[3-(1,4-oxazepan-4-ylmethyl)phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-(4-hydroxyphenyl)-2-[3-(1,4-oxazepan-4-ylmethyl)phenyl]-1H-pyrimidin-4-one Traditional Name: 6-(4-hydroxyphenyl)-2-[3-(1,4-oxazepan-4-ylmethyl)phenyl]-1H-pyrimidin-4-one Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCOC1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4=CC=C(C=C4)O

Isomeric SMILES

C1CN(CCOC1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4=CC=C(C=C4)O

InChI

InChI=1S/C22H23N3O3/c26-19-7-5-17(6-8-19)20-14-21(27)24-22(23-20)18-4-1-3-16(13-18)15-25-9-2-11-28-12-10-25/h1,3-8,13-14,26H,2,9-12,15H2,(H,23,24,27)