6-azanyl-7-chloranyl-2-[[5-methyl-1-(triphenylmethyl)imidazol-4-yl]methyl]isoquinolin-1-one

Systemtic Name: 6-azanyl-7-chloranyl-2-[[5-methyl-1-(triphenylmethyl)imidazol-4-yl]methyl]isoquinolin-1-one Openeye Name: 6-amino-7-chloro-2-[(5-methyl-1-trityl-imidazol-4-yl)methyl]isoquinolin-1-one CAS Name: 6-amino-7-chloro-2-[[5-methyl-1-(triphenylmethyl)-4-imidazolyl]methyl]-1-isoquinolinone IUPAC Name: 6-amino-7-chloro-2-[(5-methyl-1-tritylimidazol-4-yl)methyl]isoquinolin-1-one Traditional Name: 6-amino-7-chloro-2-[(5-methyl-1-trityl-imidazol-4-yl)methyl]isocarbostyril Formula: C33H27ClN4O MolecularWeight: 531.04668

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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)N

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)N

InChI

InChI=1S/C33H27ClN4O/c1-23-31(21-37-18-17-24-19-30(35)29(34)20-28(24)32(37)39)36-22-38(23)33(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-20,22H,21,35H2,1H3