N,N-dibutyl-1-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-phenacyloxy-phenyl]-5-methyl-pyrazole-3-carboxamide

Systemtic Name: N,N-dibutyl-1-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-phenacyloxy-phenyl]-5-methyl-pyrazole-3-carboxamide Openeye Name: N,N-dibutyl-1-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-phenacyloxy-phenyl]-5-methyl-pyrazole-3-carboxamide CAS Name: N,N-dibutyl-1-[2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-4-phenacyloxyphenyl]-5-methyl-3-pyrazolecarboxamide IUPAC Name: N,N-dibutyl-1-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-phenacyloxyphenyl]-5-methylpyrazole-3-carboxamide Traditional Name: N,N-dibutyl-1-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-phenacyloxy-phenyl]-5-methyl-pyrazole-3-carboxamide Formula: C37H42N4O4 MolecularWeight: 606.75378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(=O)C1=NN(C(=C1)C)C2=C(C=C(C=C2)OCC(=O)C3=CC=CC=C3)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCCCN(CCCC)C(=O)C1=NN(C(=C1)C)C2=C(C=C(C=C2)OCC(=O)C3=CC=CC=C3)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C37H42N4O4/c1-4-6-20-39(21-7-5-2)37(44)33-23-27(3)41(38-33)34-18-17-31(45-26-35(42)29-14-9-8-10-15-29)24-32(34)36(43)40-22-19-28-13-11-12-16-30(28)25-40/h8-18,23-24H,4-7,19-22,25-26H2,1-3H3