N-[1-(1-but-2-ynoylpiperidin-4-yl)-2-(3-methoxyphenyl)ethyl]-N,1-dimethyl-pyrazole-3-carboxamide

Systemtic Name: N-[1-(1-but-2-ynoylpiperidin-4-yl)-2-(3-methoxyphenyl)ethyl]-N,1-dimethyl-pyrazole-3-carboxamide Openeye Name: N-[1-(1-but-2-ynoyl-4-piperidyl)-2-(3-methoxyphenyl)ethyl]-N,1-dimethyl-pyrazole-3-carboxamide CAS Name: N-[2-(3-methoxyphenyl)-1-[1-(1-oxobut-2-ynyl)-4-piperidinyl]ethyl]-N,1-dimethyl-3-pyrazolecarboxamide IUPAC Name: N-[1-(1-but-2-ynoylpiperidin-4-yl)-2-(3-methoxyphenyl)ethyl]-N,1-dimethylpyrazole-3-carboxamide Traditional Name: N-[1-(1-but-2-ynoyl-4-piperidyl)-2-(3-methoxyphenyl)ethyl]-N,1-dimethyl-pyrazole-3-carboxamide Formula: C24H30N4O3 MolecularWeight: 422.52

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)N1CCC(CC1)C(CC2=CC(=CC=C2)OC)N(C)C(=O)C3=NN(C=C3)C

Isomeric SMILES

CC#CC(=O)N1CCC(CC1)C(CC2=CC(=CC=C2)OC)N(C)C(=O)C3=NN(C=C3)C

InChI

InChI=1S/C24H30N4O3/c1-5-7-23(29)28-14-10-19(11-15-28)22(17-18-8-6-9-20(16-18)31-4)27(3)24(30)21-12-13-26(2)25-21/h6,8-9,12-13,16,19,22H,10-11,14-15,17H2,1-4H3