N-[4-(4-methylpiperazin-1-yl)phenyl]-1-pyrimidin-2-yl-piperidine-4-carboxamide

Systemtic Name: N-[4-(4-methylpiperazin-1-yl)phenyl]-1-pyrimidin-2-yl-piperidine-4-carboxamide Openeye Name: N-[4-(4-methylpiperazin-1-yl)phenyl]-1-pyrimidin-2-yl-piperidine-4-carboxamide CAS Name: N-[4-(4-methyl-1-piperazinyl)phenyl]-1-(2-pyrimidinyl)-4-piperidinecarboxamide IUPAC Name: N-[4-(4-methylpiperazin-1-yl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide Traditional Name: N-[4-(4-methylpiperazino)phenyl]-1-(2-pyrimidyl)isonipecotamide Formula: C21H28N6O MolecularWeight: 380.48662

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H28N6O/c1-25-13-15-26(16-14-25)19-5-3-18(4-6-19)24-20(28)17-7-11-27(12-8-17)21-22-9-2-10-23-21/h2-6,9-10,17H,7-8,11-16H2,1H3,(H,24,28)