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

Systemtic Name: 1-[4-[1-(2-chlorophenyl)pyrazol-4-yl]pyrimidin-2-yl]-1,4-diazepane Openeye Name: 1-[4-[1-(2-chlorophenyl)pyrazol-4-yl]pyrimidin-2-yl]-1,4-diazepane CAS Name: 1-[4-[1-(2-chlorophenyl)-4-pyrazolyl]-2-pyrimidinyl]-1,4-diazepane IUPAC Name: 1-[4-[1-(2-chlorophenyl)pyrazol-4-yl]pyrimidin-2-yl]-1,4-diazepane Traditional Name: 1-[4-[1-(2-chlorophenyl)pyrazol-4-yl]pyrimidin-2-yl]-1,4-diazepane Formula: C18H19ClN6 MolecularWeight: 354.83666

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=NC=CC(=N2)C3=CN(N=C3)C4=CC=CC=C4Cl

Isomeric SMILES

C1CNCCN(C1)C2=NC=CC(=N2)C3=CN(N=C3)C4=CC=CC=C4Cl

InChI

InChI=1S/C18H19ClN6/c19-15-4-1-2-5-17(15)25-13-14(12-22-25)16-6-8-21-18(23-16)24-10-3-7-20-9-11-24/h1-2,4-6,8,12-13,20H,3,7,9-11H2