5-[[(2S)-2-ethylhexanoyl]amino]-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-yl-benzamide

Systemtic Name: 5-[[(2S)-2-ethylhexanoyl]amino]-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-yl-benzamide Openeye Name: 5-[[(2S)-2-ethylhexanoyl]amino]-N-(3-pyridylmethyl)-2-pyrrolidin-1-yl-benzamide CAS Name: 5-[[(2S)-2-ethyl-1-oxohexyl]amino]-N-(3-pyridinylmethyl)-2-(1-pyrrolidinyl)benzamide IUPAC Name: 5-[[(2S)-2-ethylhexanoyl]amino]-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-ylbenzamide Traditional Name: 5-[[(2S)-2-ethylhexanoyl]amino]-N-(3-pyridylmethyl)-2-pyrrolidino-benzamide Formula: C25H34N4O2 MolecularWeight: 422.56306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=CC(=C(C=C1)N2CCCC2)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

CCCC[C@H](CC)C(=O)NC1=CC(=C(C=C1)N2CCCC2)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C25H34N4O2/c1-3-5-10-20(4-2)24(30)28-21-11-12-23(29-14-6-7-15-29)22(16-21)25(31)27-18-19-9-8-13-26-17-19/h8-9,11-13,16-17,20H,3-7,10,14-15,18H2,1-2H3,(H,27,31)(H,28,30)/t20-/m0/s1