3-chloranyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-phenyl-pyrazol-3-yl]benzamide

Systemtic Name: 3-chloranyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-phenyl-pyrazol-3-yl]benzamide Openeye Name: 3-chloro-N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-phenyl-pyrazol-3-yl]benzamide CAS Name: 3-chloro-N-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-phenyl-3-pyrazolyl]benzamide IUPAC Name: 3-chloro-N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-phenylpyrazol-3-yl]benzamide Traditional Name: 3-chloro-N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-phenyl-pyrazol-3-yl]benzamide Formula: C26H21ClN4O2 MolecularWeight: 456.92354

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=C(N(N=C3)C4=CC=CC=C4)NC(=O)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=C(N(N=C3)C4=CC=CC=C4)NC(=O)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C26H21ClN4O2/c27-21-10-6-9-19(15-21)25(32)29-24-23(16-28-31(24)22-11-2-1-3-12-22)26(33)30-14-13-18-7-4-5-8-20(18)17-30/h1-12,15-16H,13-14,17H2,(H,29,32)