7-chloranyl-4-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-6-[(phenylmethyl)amino]isoquinolin-1-one

Systemtic Name: 7-chloranyl-4-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-6-[(phenylmethyl)amino]isoquinolin-1-one Openeye Name: 6-(benzylamino)-7-chloro-4-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]isoquinolin-1-one CAS Name: 7-chloro-4-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-6-[(phenylmethyl)amino]-1-isoquinolinone IUPAC Name: 6-(benzylamino)-7-chloro-4-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]isoquinolin-1-one Traditional Name: 6-(benzylamino)-7-chloro-4-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]isocarbostyril Formula: C22H21ClN4O MolecularWeight: 392.88134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)C2=CC(=C(C=C12)NCC3=CC=CC=C3)Cl)CC4=C(NC=N4)C

Isomeric SMILES

CC1=CN(C(=O)C2=CC(=C(C=C12)NCC3=CC=CC=C3)Cl)CC4=C(NC=N4)C

InChI

InChI=1S/C22H21ClN4O/c1-14-11-27(12-21-15(2)25-13-26-21)22(28)18-8-19(23)20(9-17(14)18)24-10-16-6-4-3-5-7-16/h3-9,11,13,24H,10,12H2,1-2H3,(H,25,26)