5-(1H-isoquinolin-2-yl)-4-oxidanylidene-N-[5-oxidanylidene-5-(pyridin-2-ylmethylamino)pentyl]-2-(phenylmethyl)pentanamide

Systemtic Name: 5-(1H-isoquinolin-2-yl)-4-oxidanylidene-N-[5-oxidanylidene-5-(pyridin-2-ylmethylamino)pentyl]-2-(phenylmethyl)pentanamide Openeye Name: 2-benzyl-5-(1H-isoquinolin-2-yl)-4-oxo-N-[5-oxo-5-(2-pyridylmethylamino)pentyl]pentanamide CAS Name: 5-(1H-isoquinolin-2-yl)-4-oxo-N-[5-oxo-5-(2-pyridinylmethylamino)pentyl]-2-(phenylmethyl)pentanamide IUPAC Name: 2-benzyl-5-(1H-isoquinolin-2-yl)-4-oxo-N-[5-oxo-5-(pyridin-2-ylmethylamino)pentyl]pentanamide Traditional Name: 2-benzyl-5-(1H-isoquinolin-2-yl)-4-keto-N-[5-keto-5-(2-pyridylmethylamino)pentyl]valeramide Formula: C32H36N4O3 MolecularWeight: 524.65324

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C=CN1CC(=O)CC(CC3=CC=CC=C3)C(=O)NCCCCC(=O)NCC4=CC=CC=N4

Isomeric SMILES

C1C2=CC=CC=C2C=CN1CC(=O)CC(CC3=CC=CC=C3)C(=O)NCCCCC(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C32H36N4O3/c37-30(24-36-19-16-26-12-4-5-13-27(26)23-36)21-28(20-25-10-2-1-3-11-25)32(39)34-18-9-7-15-31(38)35-22-29-14-6-8-17-33-29/h1-6,8,10-14,16-17,19,28H,7,9,15,18,20-24H2,(H,34,39)(H,35,38)