4-(1H-imidazol-2-ylmethyl)-3-(isoquinolin-1-ylmethylamino)-2-methyl-benzamide

Systemtic Name: 4-(1H-imidazol-2-ylmethyl)-3-(isoquinolin-1-ylmethylamino)-2-methyl-benzamide Openeye Name: 4-(1H-imidazol-2-ylmethyl)-3-(1-isoquinolylmethylamino)-2-methyl-benzamide CAS Name: 4-(1H-imidazol-2-ylmethyl)-3-(1-isoquinolinylmethylamino)-2-methylbenzamide IUPAC Name: 4-(1H-imidazol-2-ylmethyl)-3-(isoquinolin-1-ylmethylamino)-2-methylbenzamide Traditional Name: 4-(1H-imidazol-2-ylmethyl)-3-(1-isoquinolylmethylamino)-2-methyl-benzamide Formula: C22H21N5O MolecularWeight: 371.43504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1NCC2=NC=CC3=CC=CC=C32)CC4=NC=CN4)C(=O)N

Isomeric SMILES

CC1=C(C=CC(=C1NCC2=NC=CC3=CC=CC=C32)CC4=NC=CN4)C(=O)N

InChI

InChI=1S/C22H21N5O/c1-14-17(22(23)28)7-6-16(12-20-25-10-11-26-20)21(14)27-13-19-18-5-3-2-4-15(18)8-9-24-19/h2-11,27H,12-13H2,1H3,(H2,23,28)(H,25,26)