[4-(2-phenylazanylpyrimidin-4-yl)phenyl]-piperidin-1-yl-methanone

Systemtic Name: [4-(2-phenylazanylpyrimidin-4-yl)phenyl]-piperidin-1-yl-methanone Openeye Name: [4-(2-anilinopyrimidin-4-yl)phenyl]-(1-piperidyl)methanone CAS Name: [4-(2-anilino-4-pyrimidinyl)phenyl]-(1-piperidinyl)methanone IUPAC Name: [4-(2-anilinopyrimidin-4-yl)phenyl]-piperidin-1-ylmethanone Traditional Name: [4-(2-anilinopyrimidin-4-yl)phenyl]-piperidino-methanone Formula: C22H22N4O MolecularWeight: 358.43628

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC=CC=C4

InChI

InChI=1S/C22H22N4O/c27-21(26-15-5-2-6-16-26)18-11-9-17(10-12-18)20-13-14-23-22(25-20)24-19-7-3-1-4-8-19/h1,3-4,7-14H,2,5-6,15-16H2,(H,23,24,25)