[3-chloranyl-5-[[4-(2-phenylpyrazol-3-yl)pyrimidin-2-yl]amino]phenyl]-piperazin-1-yl-methanone

Systemtic Name: [3-chloranyl-5-[[4-(2-phenylpyrazol-3-yl)pyrimidin-2-yl]amino]phenyl]-piperazin-1-yl-methanone Openeye Name: [3-chloro-5-[[4-(2-phenylpyrazol-3-yl)pyrimidin-2-yl]amino]phenyl]-piperazin-1-yl-methanone CAS Name: [3-chloro-5-[[4-(2-phenyl-3-pyrazolyl)-2-pyrimidinyl]amino]phenyl]-(1-piperazinyl)methanone IUPAC Name: [3-chloro-5-[[4-(2-phenylpyrazol-3-yl)pyrimidin-2-yl]amino]phenyl]-piperazin-1-ylmethanone Traditional Name: [3-chloro-5-[[4-(2-phenylpyrazol-3-yl)pyrimidin-2-yl]amino]phenyl]-piperazino-methanone Formula: C24H22ClN7O MolecularWeight: 459.93078

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2=CC(=CC(=C2)Cl)NC3=NC=CC(=N3)C4=CC=NN4C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1)C(=O)C2=CC(=CC(=C2)Cl)NC3=NC=CC(=N3)C4=CC=NN4C5=CC=CC=C5

InChI

InChI=1S/C24H22ClN7O/c25-18-14-17(23(33)31-12-10-26-11-13-31)15-19(16-18)29-24-27-8-6-21(30-24)22-7-9-28-32(22)20-4-2-1-3-5-20/h1-9,14-16,26H,10-13H2,(H,27,29,30)