6-carbamimidoyl-N-[3-[2-(2-methylpropyl)phenyl]isoquinolin-6-yl]naphthalene-2-carboxamide

Systemtic Name: 6-carbamimidoyl-N-[3-[2-(2-methylpropyl)phenyl]isoquinolin-6-yl]naphthalene-2-carboxamide Openeye Name: 6-carbamimidoyl-N-[3-(2-isobutylphenyl)-6-isoquinolyl]naphthalene-2-carboxamide CAS Name: 6-carbamimidoyl-N-[3-[2-(2-methylpropyl)phenyl]-6-isoquinolinyl]-2-naphthalenecarboxamide IUPAC Name: 6-carbamimidoyl-N-[3-[2-(2-methylpropyl)phenyl]isoquinolin-6-yl]naphthalene-2-carboxamide Traditional Name: 6-amidino-N-[3-(2-isobutylphenyl)-6-isoquinolyl]-2-naphthamide Formula: C31H28N4O MolecularWeight: 472.58022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=CC=C1C2=NC=C3C=CC(=CC3=C2)NC(=O)C4=CC5=C(C=C4)C=C(C=C5)C(=N)N

Isomeric SMILES

CC(C)CC1=CC=CC=C1C2=NC=C3C=CC(=CC3=C2)NC(=O)C4=CC5=C(C=C4)C=C(C=C5)C(=N)N

InChI

InChI=1S/C31H28N4O/c1-19(2)13-22-5-3-4-6-28(22)29-17-26-16-27(12-11-25(26)18-34-29)35-31(36)24-10-8-20-14-23(30(32)33)9-7-21(20)15-24/h3-12,14-19H,13H2,1-2H3,(H3,32,33)(H,35,36)