N-[3-chloranyl-4-(2-methylpropoxy)phenyl]-1-pyrimidin-2-yl-piperidine-4-carboxamide

Systemtic Name: N-[3-chloranyl-4-(2-methylpropoxy)phenyl]-1-pyrimidin-2-yl-piperidine-4-carboxamide Openeye Name: N-(3-chloro-4-isobutoxy-phenyl)-1-pyrimidin-2-yl-piperidine-4-carboxamide CAS Name: N-[3-chloro-4-(2-methylpropoxy)phenyl]-1-(2-pyrimidinyl)-4-piperidinecarboxamide IUPAC Name: N-[3-chloro-4-(2-methylpropoxy)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide Traditional Name: N-(3-chloro-4-isobutoxy-phenyl)-1-(2-pyrimidyl)isonipecotamide Formula: C20H25ClN4O2 MolecularWeight: 388.8911

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C3=NC=CC=N3)Cl

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C3=NC=CC=N3)Cl

InChI

InChI=1S/C20H25ClN4O2/c1-14(2)13-27-18-5-4-16(12-17(18)21)24-19(26)15-6-10-25(11-7-15)20-22-8-3-9-23-20/h3-5,8-9,12,14-15H,6-7,10-11,13H2,1-2H3,(H,24,26)