1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-4-(phenylmethyl)piperazine-2,6-dione

Systemtic Name: 1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-4-(phenylmethyl)piperazine-2,6-dione Openeye Name: 4-benzyl-1-[5-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]piperazine-2,6-dione CAS Name: 1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-4-(phenylmethyl)piperazine-2,6-dione IUPAC Name: 4-benzyl-1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine-2,6-dione Traditional Name: 4-benzyl-1-[5-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]piperazine-2,6-quinone Formula: C25H20ClN5O2 MolecularWeight: 457.9116

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C(=O)CN1CC2=CC=CC=C2)C3=NNC(=C3C4=CC=NC=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1C(=O)N(C(=O)CN1CC2=CC=CC=C2)C3=NNC(=C3C4=CC=NC=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H20ClN5O2/c26-20-8-6-19(7-9-20)24-23(18-10-12-27-13-11-18)25(29-28-24)31-21(32)15-30(16-22(31)33)14-17-4-2-1-3-5-17/h1-13H,14-16H2,(H,28,29)