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

Systemtic Name: 1-[4-azanyl-2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]-N,N-dibutyl-4-chloranyl-5-methyl-pyrazole-3-carboxamide Openeye Name: 1-[4-amino-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-N,N-dibutyl-4-chloro-5-methyl-pyrazole-3-carboxamide CAS Name: 1-[4-amino-2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]phenyl]-N,N-dibutyl-4-chloro-5-methyl-3-pyrazolecarboxamide IUPAC Name: 1-[4-amino-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-N,N-dibutyl-4-chloro-5-methylpyrazole-3-carboxamide Traditional Name: 1-[4-amino-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-N,N-dibutyl-4-chloro-5-methyl-pyrazole-3-carboxamide Formula: C29H36ClN5O2 MolecularWeight: 522.08144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(=O)C1=NN(C(=C1Cl)C)C2=C(C=C(C=C2)N)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCCCN(CCCC)C(=O)C1=NN(C(=C1Cl)C)C2=C(C=C(C=C2)N)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C29H36ClN5O2/c1-4-6-15-33(16-7-5-2)29(37)27-26(30)20(3)35(32-27)25-13-12-23(31)18-24(25)28(36)34-17-14-21-10-8-9-11-22(21)19-34/h8-13,18H,4-7,14-17,19,31H2,1-3H3