N-[2-(4-chlorophenyl)-5-phenyl-pyrazol-3-yl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-5-oxidanylidene-pentanamide

Systemtic Name: N-[2-(4-chlorophenyl)-5-phenyl-pyrazol-3-yl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-5-oxidanylidene-pentanamide Openeye Name: N-[2-(4-chlorophenyl)-5-phenyl-pyrazol-3-yl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-5-oxo-pentanamide CAS Name: N-[2-(4-chlorophenyl)-5-phenyl-3-pyrazolyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-5-oxopentanamide IUPAC Name: N-[2-(4-chlorophenyl)-5-phenylpyrazol-3-yl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-5-oxopentanamide Traditional Name: N-[2-(4-chlorophenyl)-5-phenyl-pyrazol-3-yl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-5-keto-valeramide Formula: C29H27ClN4O2 MolecularWeight: 499.00328

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCCC(=O)NC3=CC(=NN3C4=CC=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCCC(=O)NC3=CC(=NN3C4=CC=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C29H27ClN4O2/c30-24-13-15-25(16-14-24)34-27(19-26(32-34)22-8-2-1-3-9-22)31-28(35)11-6-12-29(36)33-18-17-21-7-4-5-10-23(21)20-33/h1-5,7-10,13-16,19H,6,11-12,17-18,20H2,(H,31,35)