N-[[(1S,2S)-2-oxidanylcyclopentyl]methyl]-N-(phenylmethyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide

Systemtic Name: N-[[(1S,2S)-2-oxidanylcyclopentyl]methyl]-N-(phenylmethyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide Openeye Name: N-benzyl-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide CAS Name: N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-N-(phenylmethyl)-6-(3-phenyl-1-piperazinyl)-3-pyridinecarboxamide IUPAC Name: N-benzyl-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide Traditional Name: N-benzyl-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-6-(3-phenylpiperazino)nicotinamide Formula: C29H34N4O2 MolecularWeight: 470.60586

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1)O)CN(CC2=CC=CC=C2)C(=O)C3=CN=C(C=C3)N4CCNC(C4)C5=CC=CC=C5

Isomeric SMILES

C1C[C@H]([C@H](C1)O)CN(CC2=CC=CC=C2)C(=O)C3=CN=C(C=C3)N4CCNC(C4)C5=CC=CC=C5

InChI

InChI=1S/C29H34N4O2/c34-27-13-7-12-25(27)20-33(19-22-8-3-1-4-9-22)29(35)24-14-15-28(31-18-24)32-17-16-30-26(21-32)23-10-5-2-6-11-23/h1-6,8-11,14-15,18,25-27,30,34H,7,12-13,16-17,19-21H2/t25-,26?,27-/m0/s1