5-(2-chlorophenyl)-4-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidine

Systemtic Name: 5-(2-chlorophenyl)-4-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidine Openeye Name: 5-(2-chlorophenyl)-4-[1-[(1-phenylpyrazol-4-yl)methyl]-3-piperidyl]pyrimidine CAS Name: 5-(2-chlorophenyl)-4-[1-[(1-phenyl-4-pyrazolyl)methyl]-3-piperidinyl]pyrimidine IUPAC Name: 5-(2-chlorophenyl)-4-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidine Traditional Name: 5-(2-chlorophenyl)-4-[1-[(1-phenylpyrazol-4-yl)methyl]-3-piperidyl]pyrimidine Formula: C25H24ClN5 MolecularWeight: 429.94456

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CN(N=C2)C3=CC=CC=C3)C4=NC=NC=C4C5=CC=CC=C5Cl

Isomeric SMILES

C1CC(CN(C1)CC2=CN(N=C2)C3=CC=CC=C3)C4=NC=NC=C4C5=CC=CC=C5Cl

InChI

InChI=1S/C25H24ClN5/c26-24-11-5-4-10-22(24)23-14-27-18-28-25(23)20-7-6-12-30(17-20)15-19-13-29-31(16-19)21-8-2-1-3-9-21/h1-5,8-11,13-14,16,18,20H,6-7,12,15,17H2