N-[[(3S)-1-cyclopentylpiperidin-3-yl]methyl]-N-(2-piperidin-1-ylethyl)quinoline-2-carboxamide

Systemtic Name: N-[[(3S)-1-cyclopentylpiperidin-3-yl]methyl]-N-(2-piperidin-1-ylethyl)quinoline-2-carboxamide Openeye Name: N-[[(3S)-1-cyclopentyl-3-piperidyl]methyl]-N-[2-(1-piperidyl)ethyl]quinoline-2-carboxamide CAS Name: N-[[(3S)-1-cyclopentyl-3-piperidinyl]methyl]-N-[2-(1-piperidinyl)ethyl]-2-quinolinecarboxamide IUPAC Name: N-[[(3S)-1-cyclopentylpiperidin-3-yl]methyl]-N-(2-piperidin-1-ylethyl)quinoline-2-carboxamide Traditional Name: N-[[(3S)-1-cyclopentyl-3-piperidyl]methyl]-N-(2-piperidinoethyl)quinaldamide Formula: C28H40N4O MolecularWeight: 448.6434

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCN(CC2CCCN(C2)C3CCCC3)C(=O)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCN(CC1)CCN(C[C@H]2CCCN(C2)C3CCCC3)C(=O)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C28H40N4O/c33-28(27-15-14-24-10-2-5-13-26(24)29-27)32(20-19-30-16-6-1-7-17-30)22-23-9-8-18-31(21-23)25-11-3-4-12-25/h2,5,10,13-15,23,25H,1,3-4,6-9,11-12,16-22H2/t23-/m0/s1