N-[3-[(1-azanylisoquinolin-6-yl)amino]-2-oxidanyl-3-oxidanylidene-1-phenyl-propyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[3-[(1-azanylisoquinolin-6-yl)amino]-2-oxidanyl-3-oxidanylidene-1-phenyl-propyl]-4-propan-2-yl-benzamide Openeye Name: N-[3-[(1-amino-6-isoquinolyl)amino]-2-hydroxy-3-oxo-1-phenyl-propyl]-4-isopropyl-benzamide CAS Name: N-[3-[(1-amino-6-isoquinolinyl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-4-propan-2-ylbenzamide IUPAC Name: N-[3-[(1-aminoisoquinolin-6-yl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-4-propan-2-ylbenzamide Traditional Name: N-[3-[(1-amino-6-isoquinolyl)amino]-2-hydroxy-3-keto-1-phenyl-propyl]-4-isopropyl-benzamide Formula: C28H28N4O3 MolecularWeight: 468.54692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)NC(C2=CC=CC=C2)C(C(=O)NC3=CC4=C(C=C3)C(=NC=C4)N)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NC(C2=CC=CC=C2)C(C(=O)NC3=CC4=C(C=C3)C(=NC=C4)N)O

InChI

InChI=1S/C28H28N4O3/c1-17(2)18-8-10-20(11-9-18)27(34)32-24(19-6-4-3-5-7-19)25(33)28(35)31-22-12-13-23-21(16-22)14-15-30-26(23)29/h3-17,24-25,33H,1-2H3,(H2,29,30)(H,31,35)(H,32,34)