2-(isoquinolin-6-ylamino)-N-[3-methyl-4-(2-oxidanylidenepiperidin-1-yl)phenyl]-2-phenyl-ethanamide

Systemtic Name: 2-(isoquinolin-6-ylamino)-N-[3-methyl-4-(2-oxidanylidenepiperidin-1-yl)phenyl]-2-phenyl-ethanamide Openeye Name: 2-(6-isoquinolylamino)-N-[3-methyl-4-(2-oxo-1-piperidyl)phenyl]-2-phenyl-acetamide CAS Name: 2-(6-isoquinolinylamino)-N-[3-methyl-4-(2-oxo-1-piperidinyl)phenyl]-2-phenylacetamide IUPAC Name: 2-(isoquinolin-6-ylamino)-N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide Traditional Name: 2-(6-isoquinolylamino)-N-[4-(2-ketopiperidino)-3-methyl-phenyl]-2-phenyl-acetamide Formula: C29H28N4O2 MolecularWeight: 464.55822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C(C2=CC=CC=C2)NC3=CC4=C(C=C3)C=NC=C4)N5CCCCC5=O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C(C2=CC=CC=C2)NC3=CC4=C(C=C3)C=NC=C4)N5CCCCC5=O

InChI

InChI=1S/C29H28N4O2/c1-20-17-24(12-13-26(20)33-16-6-5-9-27(33)34)32-29(35)28(21-7-3-2-4-8-21)31-25-11-10-23-19-30-15-14-22(23)18-25/h2-4,7-8,10-15,17-19,28,31H,5-6,9,16H2,1H3,(H,32,35)