N-[(3S,4R)-3-methyl-1-phenethyl-piperidin-4-yl]-N-pyrimidin-2-yl-cyclopropanecarboxamide

Systemtic Name: N-[(3S,4R)-3-methyl-1-phenethyl-piperidin-4-yl]-N-pyrimidin-2-yl-cyclopropanecarboxamide Openeye Name: N-[(3S,4R)-3-methyl-1-phenethyl-4-piperidyl]-N-pyrimidin-2-yl-cyclopropanecarboxamide CAS Name: N-[(3S,4R)-3-methyl-1-phenethyl-4-piperidinyl]-N-(2-pyrimidinyl)cyclopropanecarboxamide IUPAC Name: N-[(3S,4R)-3-methyl-1-phenethylpiperidin-4-yl]-N-pyrimidin-2-ylcyclopropanecarboxamide Traditional Name: N-[(3S,4R)-3-methyl-1-phenethyl-4-piperidyl]-N-(2-pyrimidyl)cyclopropanecarboxamide Formula: C22H28N4O MolecularWeight: 364.48392

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1N(C2=NC=CC=N2)C(=O)C3CC3)CCC4=CC=CC=C4

Isomeric SMILES

C[C@H]1CN(CC[C@H]1N(C2=NC=CC=N2)C(=O)C3CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C22H28N4O/c1-17-16-25(14-10-18-6-3-2-4-7-18)15-11-20(17)26(21(27)19-8-9-19)22-23-12-5-13-24-22/h2-7,12-13,17,19-20H,8-11,14-16H2,1H3/t17-,20+/m0/s1