3-bromanyl-N-[(3-carbamimidoylphenyl)methyl]-1-[(3-cyanophenyl)methyl]-4-methyl-indole-2-carboxamide

Systemtic Name: 3-bromanyl-N-[(3-carbamimidoylphenyl)methyl]-1-[(3-cyanophenyl)methyl]-4-methyl-indole-2-carboxamide Openeye Name: 3-bromo-N-[(3-carbamimidoylphenyl)methyl]-1-[(3-cyanophenyl)methyl]-4-methyl-indole-2-carboxamide CAS Name: 3-bromo-N-[(3-carbamimidoylphenyl)methyl]-1-[(3-cyanophenyl)methyl]-4-methyl-2-indolecarboxamide IUPAC Name: 3-bromo-N-[(3-carbamimidoylphenyl)methyl]-1-[(3-cyanophenyl)methyl]-4-methylindole-2-carboxamide Traditional Name: N-(3-amidinobenzyl)-3-bromo-1-(3-cyanobenzyl)-4-methyl-indole-2-carboxamide Formula: C26H22BrN5O MolecularWeight: 500.38978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N(C(=C2Br)C(=O)NCC3=CC=CC(=C3)C(=N)N)CC4=CC=CC(=C4)C#N

Isomeric SMILES

CC1=C2C(=CC=C1)N(C(=C2Br)C(=O)NCC3=CC=CC(=C3)C(=N)N)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C26H22BrN5O/c1-16-5-2-10-21-22(16)23(27)24(32(21)15-19-8-3-6-17(11-19)13-28)26(33)31-14-18-7-4-9-20(12-18)25(29)30/h2-12H,14-15H2,1H3,(H3,29,30)(H,31,33)