4-azanyl-N-[[1-[(1-but-2-ynoylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]-5-chloranyl-2,3-dihydro-1-benzofuran-7-carboxamide

Systemtic Name: 4-azanyl-N-[[1-[(1-but-2-ynoylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]-5-chloranyl-2,3-dihydro-1-benzofuran-7-carboxamide Openeye Name: 4-amino-N-[[1-[(1-but-2-ynoyl-4-piperidyl)methyl]-4-piperidyl]methyl]-5-chloro-2,3-dihydrobenzofuran-7-carboxamide CAS Name: 4-amino-5-chloro-N-[[1-[[1-(1-oxobut-2-ynyl)-4-piperidinyl]methyl]-4-piperidinyl]methyl]-2,3-dihydrobenzofuran-7-carboxamide IUPAC Name: 4-amino-N-[[1-[(1-but-2-ynoylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]-5-chloro-2,3-dihydro-1-benzofuran-7-carboxamide Traditional Name: 4-amino-N-[[1-[(1-but-2-ynoyl-4-piperidyl)methyl]-4-piperidyl]methyl]-5-chloro-coumaran-7-carboxamide Formula: C25H33ClN4O3 MolecularWeight: 473.00752

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)N1CCC(CC1)CN2CCC(CC2)CNC(=O)C3=CC(=C(C4=C3OCC4)N)Cl

Isomeric SMILES

CC#CC(=O)N1CCC(CC1)CN2CCC(CC2)CNC(=O)C3=CC(=C(C4=C3OCC4)N)Cl

InChI

InChI=1S/C25H33ClN4O3/c1-2-3-22(31)30-11-6-18(7-12-30)16-29-9-4-17(5-10-29)15-28-25(32)20-14-21(26)23(27)19-8-13-33-24(19)20/h14,17-18H,4-13,15-16,27H2,1H3,(H,28,32)