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

Systemtic Name: N,N-dibutyl-4-chloranyl-1-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-(2-phenylethanoylamino)phenyl]-5-methyl-pyrazole-3-carboxamide Openeye Name: N,N-dibutyl-4-chloro-1-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-[(2-phenylacetyl)amino]phenyl]-5-methyl-pyrazole-3-carboxamide CAS Name: N,N-dibutyl-4-chloro-1-[2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-4-[(1-oxo-2-phenylethyl)amino]phenyl]-5-methyl-3-pyrazolecarboxamide IUPAC Name: N,N-dibutyl-4-chloro-1-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-[(2-phenylacetyl)amino]phenyl]-5-methylpyrazole-3-carboxamide Traditional Name: N,N-dibutyl-4-chloro-1-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-[(2-phenylacetyl)amino]phenyl]-5-methyl-pyrazole-3-carboxamide Formula: C37H42ClN5O3 MolecularWeight: 640.21408

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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)CC3=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)CC3=CC=CC=C3)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C37H42ClN5O3/c1-4-6-20-41(21-7-5-2)37(46)35-34(38)26(3)43(40-35)32-18-17-30(39-33(44)23-27-13-9-8-10-14-27)24-31(32)36(45)42-22-19-28-15-11-12-16-29(28)25-42/h8-18,24H,4-7,19-23,25H2,1-3H3,(H,39,44)