N-(3-fluorophenyl)-4-(8-pyrimidin-5-ylquinolin-2-yl)piperazine-1-carboxamide

Systemtic Name: N-(3-fluorophenyl)-4-(8-pyrimidin-5-ylquinolin-2-yl)piperazine-1-carboxamide Openeye Name: N-(3-fluorophenyl)-4-(8-pyrimidin-5-yl-2-quinolyl)piperazine-1-carboxamide CAS Name: N-(3-fluorophenyl)-4-[8-(5-pyrimidinyl)-2-quinolinyl]-1-piperazinecarboxamide IUPAC Name: N-(3-fluorophenyl)-4-(8-pyrimidin-5-ylquinolin-2-yl)piperazine-1-carboxamide Traditional Name: N-(3-fluorophenyl)-4-[8-(5-pyrimidyl)-2-quinolyl]piperazine-1-carboxamide Formula: C24H21FN6O MolecularWeight: 428.461543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(C=CC=C3C4=CN=CN=C4)C=C2)C(=O)NC5=CC(=CC=C5)F

Isomeric SMILES

C1CN(CCN1C2=NC3=C(C=CC=C3C4=CN=CN=C4)C=C2)C(=O)NC5=CC(=CC=C5)F

InChI

InChI=1S/C24H21FN6O/c25-19-4-2-5-20(13-19)28-24(32)31-11-9-30(10-12-31)22-8-7-17-3-1-6-21(23(17)29-22)18-14-26-16-27-15-18/h1-8,13-16H,9-12H2,(H,28,32)