4-(4-chlorophenyl)-N-(2-imidazol-1-yl-2-isoquinolin-6-yl-ethyl)benzamide

Systemtic Name: 4-(4-chlorophenyl)-N-(2-imidazol-1-yl-2-isoquinolin-6-yl-ethyl)benzamide Openeye Name: 4-(4-chlorophenyl)-N-[2-imidazol-1-yl-2-(6-isoquinolyl)ethyl]benzamide CAS Name: 4-(4-chlorophenyl)-N-[2-(1-imidazolyl)-2-(6-isoquinolinyl)ethyl]benzamide IUPAC Name: 4-(4-chlorophenyl)-N-(2-imidazol-1-yl-2-isoquinolin-6-ylethyl)benzamide Traditional Name: 4-(4-chlorophenyl)-N-[2-imidazol-1-yl-2-(6-isoquinolyl)ethyl]benzamide Formula: C27H21ClN4O MolecularWeight: 452.93484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C=C2)Cl)C(=O)NCC(C3=CC4=C(C=C3)C=NC=C4)N5C=CN=C5

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)Cl)C(=O)NCC(C3=CC4=C(C=C3)C=NC=C4)N5C=CN=C5

InChI

InChI=1S/C27H21ClN4O/c28-25-9-7-20(8-10-25)19-1-3-21(4-2-19)27(33)31-17-26(32-14-13-30-18-32)23-5-6-24-16-29-12-11-22(24)15-23/h1-16,18,26H,17H2,(H,31,33)