(2R)-2-[(N,N'-dicyclohexylcarbamimidoyl)amino]-N-isoquinolin-8-yl-3-naphthalen-2-yl-propanamide

Systemtic Name: (2R)-2-[(N,N'-dicyclohexylcarbamimidoyl)amino]-N-isoquinolin-8-yl-3-naphthalen-2-yl-propanamide Openeye Name: (2R)-2-[(N,N'-dicyclohexylcarbamimidoyl)amino]-N-(8-isoquinolyl)-3-(2-naphthyl)propanamide CAS Name: (2R)-2-[[(cyclohexylamino)-cyclohexyliminomethyl]amino]-N-(8-isoquinolinyl)-3-(2-naphthalenyl)propanamide IUPAC Name: (2R)-2-[(N,N'-dicyclohexylcarbamimidoyl)amino]-N-isoquinolin-8-yl-3-naphthalen-2-ylpropanamide Traditional Name: (2R)-2-[(N,N'-dicyclohexylamidino)amino]-N-(8-isoquinolyl)-3-(2-naphthyl)propionamide Formula: C35H41N5O MolecularWeight: 547.73294

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=NC2CCCCC2)NC(CC3=CC4=CC=CC=C4C=C3)C(=O)NC5=CC=CC6=C5C=NC=C6

Isomeric SMILES

C1CCC(CC1)NC(=NC2CCCCC2)N[C@H](CC3=CC4=CC=CC=C4C=C3)C(=O)NC5=CC=CC6=C5C=NC=C6

InChI

InChI=1S/C35H41N5O/c41-34(39-32-17-9-12-27-20-21-36-24-31(27)32)33(23-25-18-19-26-10-7-8-11-28(26)22-25)40-35(37-29-13-3-1-4-14-29)38-30-15-5-2-6-16-30/h7-12,17-22,24,29-30,33H,1-6,13-16,23H2,(H,39,41)(H2,37,38,40)/t33-/m1/s1