N-[7-chloranyl-2-[[5-methyl-1-(triphenylmethyl)imidazol-4-yl]methyl]-1-oxidanylidene-isoquinolin-6-yl]ethanamide

Systemtic Name: N-[7-chloranyl-2-[[5-methyl-1-(triphenylmethyl)imidazol-4-yl]methyl]-1-oxidanylidene-isoquinolin-6-yl]ethanamide Openeye Name: N-[7-chloro-2-[(5-methyl-1-trityl-imidazol-4-yl)methyl]-1-oxo-6-isoquinolyl]acetamide CAS Name: N-[7-chloro-2-[[5-methyl-1-(triphenylmethyl)-4-imidazolyl]methyl]-1-oxo-6-isoquinolinyl]acetamide IUPAC Name: N-[7-chloro-2-[(5-methyl-1-tritylimidazol-4-yl)methyl]-1-oxoisoquinolin-6-yl]acetamide Traditional Name: N-[7-chloro-1-keto-2-[(5-methyl-1-trityl-imidazol-4-yl)methyl]-6-isoquinolyl]acetamide Formula: C35H29ClN4O2 MolecularWeight: 573.08336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)CN5C=CC6=CC(=C(C=C6C5=O)Cl)NC(=O)C

Isomeric SMILES

CC1=C(N=CN1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)CN5C=CC6=CC(=C(C=C6C5=O)Cl)NC(=O)C

InChI

InChI=1S/C35H29ClN4O2/c1-24-33(22-39-19-18-26-20-32(38-25(2)41)31(36)21-30(26)34(39)42)37-23-40(24)35(27-12-6-3-7-13-27,28-14-8-4-9-15-28)29-16-10-5-11-17-29/h3-21,23H,22H2,1-2H3,(H,38,41)