4-[4-[1-(4-chlorophenyl)pyrazol-4-yl]pyrimidin-2-yl]-1,4-oxazepane

Systemtic Name: 4-[4-[1-(4-chlorophenyl)pyrazol-4-yl]pyrimidin-2-yl]-1,4-oxazepane Openeye Name: 4-[4-[1-(4-chlorophenyl)pyrazol-4-yl]pyrimidin-2-yl]-1,4-oxazepane CAS Name: 4-[4-[1-(4-chlorophenyl)-4-pyrazolyl]-2-pyrimidinyl]-1,4-oxazepane IUPAC Name: 4-[4-[1-(4-chlorophenyl)pyrazol-4-yl]pyrimidin-2-yl]-1,4-oxazepane Traditional Name: 4-[4-[1-(4-chlorophenyl)pyrazol-4-yl]pyrimidin-2-yl]-1,4-oxazepane Formula: C18H18ClN5O MolecularWeight: 355.82142

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCOC1)C2=NC=CC(=N2)C3=CN(N=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCOC1)C2=NC=CC(=N2)C3=CN(N=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H18ClN5O/c19-15-2-4-16(5-3-15)24-13-14(12-21-24)17-6-7-20-18(22-17)23-8-1-10-25-11-9-23/h2-7,12-13H,1,8-11H2