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

Systemtic Name: 3-bromanyl-N-[(3-carbamimidoylphenyl)methyl]-1-[(3-cyanophenyl)methyl]indole-2-carboxamide Openeye Name: 3-bromo-N-[(3-carbamimidoylphenyl)methyl]-1-[(3-cyanophenyl)methyl]indole-2-carboxamide CAS Name: 3-bromo-N-[(3-carbamimidoylphenyl)methyl]-1-[(3-cyanophenyl)methyl]-2-indolecarboxamide IUPAC Name: 3-bromo-N-[(3-carbamimidoylphenyl)methyl]-1-[(3-cyanophenyl)methyl]indole-2-carboxamide Traditional Name: N-(3-amidinobenzyl)-3-bromo-1-(3-cyanobenzyl)indole-2-carboxamide Formula: C25H20BrN5O MolecularWeight: 486.3632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N2CC3=CC=CC(=C3)C#N)C(=O)NCC4=CC=CC(=C4)C(=N)N)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N2CC3=CC=CC(=C3)C#N)C(=O)NCC4=CC=CC(=C4)C(=N)N)Br

InChI

InChI=1S/C25H20BrN5O/c26-22-20-9-1-2-10-21(20)31(15-18-7-3-5-16(11-18)13-27)23(22)25(32)30-14-17-6-4-8-19(12-17)24(28)29/h1-12H,14-15H2,(H3,28,29)(H,30,32)