4-azanyl-N-[1-[(1-but-2-ynoylpiperidin-4-yl)methyl]piperidin-4-yl]-5-chloranyl-2-ethoxy-benzamide

Systemtic Name: 4-azanyl-N-[1-[(1-but-2-ynoylpiperidin-4-yl)methyl]piperidin-4-yl]-5-chloranyl-2-ethoxy-benzamide Openeye Name: 4-amino-N-[1-[(1-but-2-ynoyl-4-piperidyl)methyl]-4-piperidyl]-5-chloro-2-ethoxy-benzamide CAS Name: 4-amino-5-chloro-2-ethoxy-N-[1-[[1-(1-oxobut-2-ynyl)-4-piperidinyl]methyl]-4-piperidinyl]benzamide IUPAC Name: 4-amino-N-[1-[(1-but-2-ynoylpiperidin-4-yl)methyl]piperidin-4-yl]-5-chloro-2-ethoxybenzamide Traditional Name: 4-amino-N-[1-[(1-but-2-ynoyl-4-piperidyl)methyl]-4-piperidyl]-5-chloro-2-ethoxy-benzamide Formula: C24H33ClN4O3 MolecularWeight: 460.99682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3CCN(CC3)C(=O)C#CC)Cl)N

Isomeric SMILES

CCOC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3CCN(CC3)C(=O)C#CC)Cl)N

InChI

InChI=1S/C24H33ClN4O3/c1-3-5-23(30)29-12-6-17(7-13-29)16-28-10-8-18(9-11-28)27-24(31)19-14-20(25)21(26)15-22(19)32-4-2/h14-15,17-18H,4,6-13,16,26H2,1-2H3,(H,27,31)