4-azanyl-N-[1-[(1-but-2-ynoylpiperidin-4-yl)methyl]piperidin-4-yl]-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]-5-chloranyl-2,3-dihydro-1-benzofuran-7-carboxamide Openeye Name: 4-amino-N-[1-[(1-but-2-ynoyl-4-piperidyl)methyl]-4-piperidyl]-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]-2,3-dihydrobenzofuran-7-carboxamide IUPAC Name: 4-amino-N-[1-[(1-but-2-ynoylpiperidin-4-yl)methyl]piperidin-4-yl]-5-chloro-2,3-dihydro-1-benzofuran-7-carboxamide Traditional Name: 4-amino-N-[1-[(1-but-2-ynoyl-4-piperidyl)methyl]-4-piperidyl]-5-chloro-coumaran-7-carboxamide Formula: C24H31ClN4O3 MolecularWeight: 458.98094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31ClN4O3/c1-2-3-21(30)29-11-4-16(5-12-29)15-28-9-6-17(7-10-28)27-24(31)19-14-20(25)22(26)18-8-13-32-23(18)19/h14,16-17H,4-13,15,26H2,1H3,(H,27,31)