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

Systemtic Name: 1-[4-benzamido-2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]-N,N-dibutyl-4-chloranyl-5-methyl-pyrazole-3-carboxamide Openeye Name: 1-[4-benzamido-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-N,N-dibutyl-4-chloro-5-methyl-pyrazole-3-carboxamide CAS Name: 1-[4-benzamido-2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]phenyl]-N,N-dibutyl-4-chloro-5-methyl-3-pyrazolecarboxamide IUPAC Name: 1-[4-benzamido-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-N,N-dibutyl-4-chloro-5-methylpyrazole-3-carboxamide Traditional Name: 1-[4-benzamido-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-N,N-dibutyl-4-chloro-5-methyl-pyrazole-3-carboxamide Formula: C36H40ClN5O3 MolecularWeight: 626.1875

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(=O)C1=NN(C(=C1Cl)C)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCCCN(CCCC)C(=O)C1=NN(C(=C1Cl)C)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C36H40ClN5O3/c1-4-6-20-40(21-7-5-2)36(45)33-32(37)25(3)42(39-33)31-18-17-29(38-34(43)27-14-9-8-10-15-27)23-30(31)35(44)41-22-19-26-13-11-12-16-28(26)24-41/h8-18,23H,4-7,19-22,24H2,1-3H3,(H,38,43)