N-(3-imidazol-1-ylpropyl)-1-(4-phenylazanylpyrimidin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-1-(4-phenylazanylpyrimidin-2-yl)piperidine-4-carboxamide Openeye Name: 1-(4-anilinopyrimidin-2-yl)-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide CAS Name: 1-(4-anilino-2-pyrimidinyl)-N-[3-(1-imidazolyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-anilinopyrimidin-2-yl)-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide Traditional Name: 1-(4-anilinopyrimidin-2-yl)-N-(3-imidazol-1-ylpropyl)isonipecotamide Formula: C22H27N7O MolecularWeight: 405.49608

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCCN2C=CN=C2)C3=NC=CC(=N3)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NCCCN2C=CN=C2)C3=NC=CC(=N3)NC4=CC=CC=C4

InChI

InChI=1S/C22H27N7O/c30-21(24-10-4-13-28-16-12-23-17-28)18-8-14-29(15-9-18)22-25-11-7-20(27-22)26-19-5-2-1-3-6-19/h1-3,5-7,11-12,16-18H,4,8-10,13-15H2,(H,24,30)(H,25,26,27)