4-[2-[1-[(1-azanylisoquinolin-6-yl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-1H-imidazol-5-yl]benzamide

Systemtic Name: 4-[2-[1-[(1-azanylisoquinolin-6-yl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-1H-imidazol-5-yl]benzamide Openeye Name: 4-[2-[2-[(1-amino-6-isoquinolyl)amino]-1-benzyl-2-oxo-ethyl]-1H-imidazol-5-yl]benzamide CAS Name: 4-[2-[1-[(1-amino-6-isoquinolinyl)amino]-1-oxo-3-phenylpropan-2-yl]-1H-imidazol-5-yl]benzamide IUPAC Name: 4-[2-[1-[(1-aminoisoquinolin-6-yl)amino]-1-oxo-3-phenylpropan-2-yl]-1H-imidazol-5-yl]benzamide Traditional Name: 4-[2-[2-[(1-amino-6-isoquinolyl)amino]-1-benzyl-2-keto-ethyl]-1H-imidazol-5-yl]benzamide Formula: C28H24N6O2 MolecularWeight: 476.52916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C2=NC=C(N2)C3=CC=C(C=C3)C(=O)N)C(=O)NC4=CC5=C(C=C4)C(=NC=C5)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C2=NC=C(N2)C3=CC=C(C=C3)C(=O)N)C(=O)NC4=CC5=C(C=C4)C(=NC=C5)N

InChI

InChI=1S/C28H24N6O2/c29-25-22-11-10-21(15-20(22)12-13-31-25)33-28(36)23(14-17-4-2-1-3-5-17)27-32-16-24(34-27)18-6-8-19(9-7-18)26(30)35/h1-13,15-16,23H,14H2,(H2,29,31)(H2,30,35)(H,32,34)(H,33,36)