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

Systemtic Name: 5-(1H-isoquinolin-2-yl)-N-[5-oxidanylidene-5-(pyridin-2-ylmethylamino)pentyl]-2-(phenylmethyl)pentanamide Openeye Name: 2-benzyl-5-(1H-isoquinolin-2-yl)-N-[5-oxo-5-(2-pyridylmethylamino)pentyl]pentanamide CAS Name: 5-(1H-isoquinolin-2-yl)-N-[5-oxo-5-(2-pyridinylmethylamino)pentyl]-2-(phenylmethyl)pentanamide IUPAC Name: 2-benzyl-5-(1H-isoquinolin-2-yl)-N-[5-oxo-5-(pyridin-2-ylmethylamino)pentyl]pentanamide Traditional Name: 2-benzyl-5-(1H-isoquinolin-2-yl)-N-[5-keto-5-(2-pyridylmethylamino)pentyl]valeramide Formula: C32H38N4O2 MolecularWeight: 510.66972

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C=CN1CCCC(CC3=CC=CC=C3)C(=O)NCCCCC(=O)NCC4=CC=CC=N4

Isomeric SMILES

C1C2=CC=CC=C2C=CN1CCCC(CC3=CC=CC=C3)C(=O)NCCCCC(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C32H38N4O2/c37-31(35-24-30-16-6-8-19-33-30)17-7-9-20-34-32(38)28(23-26-11-2-1-3-12-26)15-10-21-36-22-18-27-13-4-5-14-29(27)25-36/h1-6,8,11-14,16,18-19,22,28H,7,9-10,15,17,20-21,23-25H2,(H,34,38)(H,35,37)