2-[(4-carbamimidoylphenyl)amino]-2-[4-(isoquinolin-6-ylmethoxy)phenyl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[4-(isoquinolin-6-ylmethoxy)phenyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-(4-carbamimidoylanilino)-2-[4-(6-isoquinolylmethoxy)phenyl]acetamide CAS Name: 2-(4-carbamimidoylanilino)-2-[4-(6-isoquinolinylmethoxy)phenyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-(4-carbamimidoylanilino)-2-[4-(isoquinolin-6-ylmethoxy)phenyl]acetamide Traditional Name: 2-(4-amidinoanilino)-N-benzyl-2-[4-(6-isoquinolylmethoxy)phenyl]acetamide Formula: C32H29N5O2 MolecularWeight: 515.60496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(C2=CC=C(C=C2)OCC3=CC4=C(C=C3)C=NC=C4)NC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C(C2=CC=C(C=C2)OCC3=CC4=C(C=C3)C=NC=C4)NC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C32H29N5O2/c33-31(34)25-8-12-28(13-9-25)37-30(32(38)36-19-22-4-2-1-3-5-22)24-10-14-29(15-11-24)39-21-23-6-7-27-20-35-17-16-26(27)18-23/h1-18,20,30,37H,19,21H2,(H3,33,34)(H,36,38)