2-[azanyl(isoquinolin-6-yl)methyl]-3-ethyl-3-naphthalen-1-yl-2-(phenylmethyl)butanediamide

Systemtic Name: 2-[azanyl(isoquinolin-6-yl)methyl]-3-ethyl-3-naphthalen-1-yl-2-(phenylmethyl)butanediamide Openeye Name: 2-[amino(6-isoquinolyl)methyl]-2-benzyl-3-ethyl-3-(1-naphthyl)butanediamide CAS Name: 2-[amino(6-isoquinolinyl)methyl]-3-ethyl-3-(1-naphthalenyl)-2-(phenylmethyl)butanediamide IUPAC Name: 2-[amino(isoquinolin-6-yl)methyl]-2-benzyl-3-ethyl-3-naphthalen-1-ylbutanediamide Traditional Name: 2-[amino(6-isoquinolyl)methyl]-2-benzyl-3-ethyl-3-(1-naphthyl)succinamide Formula: C33H32N4O2 MolecularWeight: 516.63278

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC2=CC=CC=C21)(C(=O)N)C(CC3=CC=CC=C3)(C(C4=CC5=C(C=C4)C=NC=C5)N)C(=O)N

Isomeric SMILES

CCC(C1=CC=CC2=CC=CC=C21)(C(=O)N)C(CC3=CC=CC=C3)(C(C4=CC5=C(C=C4)C=NC=C5)N)C(=O)N

InChI

InChI=1S/C33H32N4O2/c1-2-32(30(35)38,28-14-8-12-23-11-6-7-13-27(23)28)33(31(36)39,20-22-9-4-3-5-10-22)29(34)25-15-16-26-21-37-18-17-24(26)19-25/h3-19,21,29H,2,20,34H2,1H3,(H2,35,38)(H2,36,39)