1-[(3-carbamimidoylphenyl)methyl]-N-(isoquinolin-1-ylmethyl)-4-methyl-indole-2-carboxamide

Systemtic Name: 1-[(3-carbamimidoylphenyl)methyl]-N-(isoquinolin-1-ylmethyl)-4-methyl-indole-2-carboxamide Openeye Name: 1-[(3-carbamimidoylphenyl)methyl]-N-(1-isoquinolylmethyl)-4-methyl-indole-2-carboxamide CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-N-(1-isoquinolinylmethyl)-4-methyl-2-indolecarboxamide IUPAC Name: 1-[(3-carbamimidoylphenyl)methyl]-N-(isoquinolin-1-ylmethyl)-4-methylindole-2-carboxamide Traditional Name: 1-(3-amidinobenzyl)-N-(1-isoquinolylmethyl)-4-methyl-indole-2-carboxamide Formula: C28H25N5O MolecularWeight: 447.531

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(N(C2=CC=C1)CC3=CC=CC(=C3)C(=N)N)C(=O)NCC4=NC=CC5=CC=CC=C54

Isomeric SMILES

CC1=C2C=C(N(C2=CC=C1)CC3=CC=CC(=C3)C(=N)N)C(=O)NCC4=NC=CC5=CC=CC=C54

InChI

InChI=1S/C28H25N5O/c1-18-6-4-11-25-23(18)15-26(33(25)17-19-7-5-9-21(14-19)27(29)30)28(34)32-16-24-22-10-3-2-8-20(22)12-13-31-24/h2-15H,16-17H2,1H3,(H3,29,30)(H,32,34)