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

Systemtic Name: 4-azanyl-N-[1-[(1-but-2-ynoylpiperidin-4-yl)methyl]piperidin-4-yl]-5-chloranyl-2-methoxy-benzamide Openeye Name: 4-amino-N-[1-[(1-but-2-ynoyl-4-piperidyl)methyl]-4-piperidyl]-5-chloro-2-methoxy-benzamide CAS Name: 4-amino-5-chloro-2-methoxy-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-methoxybenzamide Traditional Name: 4-amino-N-[1-[(1-but-2-ynoyl-4-piperidyl)methyl]-4-piperidyl]-5-chloro-2-methoxy-benzamide Formula: C23H31ClN4O3 MolecularWeight: 446.97024

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)N1CCC(CC1)CN2CCC(CC2)NC(=O)C3=CC(=C(C=C3OC)N)Cl

Isomeric SMILES

CC#CC(=O)N1CCC(CC1)CN2CCC(CC2)NC(=O)C3=CC(=C(C=C3OC)N)Cl

InChI

InChI=1S/C23H31ClN4O3/c1-3-4-22(29)28-11-5-16(6-12-28)15-27-9-7-17(8-10-27)26-23(30)18-13-19(24)20(25)14-21(18)31-2/h13-14,16-17H,5-12,15,25H2,1-2H3,(H,26,30)