4-[4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]-1,4-oxazepane

Systemtic Name: 4-[4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]-1,4-oxazepane Openeye Name: 4-[4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]-1,4-oxazepane CAS Name: 4-[4-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-pyrimidinyl]-1,4-oxazepane IUPAC Name: 4-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]-1,4-oxazepane Traditional Name: 4-[4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]-1,4-oxazepane Formula: C20H23N5O MolecularWeight: 349.42952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C3=NC(=NC=C3)N4CCCOCC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C3=NC(=NC=C3)N4CCCOCC4

InChI

InChI=1S/C20H23N5O/c1-15-19(16(2)25(23-15)17-7-4-3-5-8-17)18-9-10-21-20(22-18)24-11-6-13-26-14-12-24/h3-5,7-10H,6,11-14H2,1-2H3