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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1NCC2=CC3=CC=CC=C3C=N2)CC4=NC=CN4)C(=O)N

Isomeric SMILES

CC1=C(C=CC(=C1NCC2=CC3=CC=CC=C3C=N2)CC4=NC=CN4)C(=O)N

InChI

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