3-[(3E)-5-bromanyl-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-N-(2-pyridin-2-ylethyl)propanamide

Systemtic Name: 3-[(3E)-5-bromanyl-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-N-(2-pyridin-2-ylethyl)propanamide Openeye Name: 3-[(3E)-5-bromo-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]-N-[2-(2-pyridyl)ethyl]propanamide CAS Name: 3-[(3E)-5-bromo-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]-N-[2-(2-pyridinyl)ethyl]propanamide IUPAC Name: 3-[(3E)-5-bromo-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-N-(2-pyridin-2-ylethyl)propanamide Traditional Name: 3-[(3E)-3-(5-amidino-1,3-dihydrobenzimidazol-2-ylidene)-5-bromo-4-keto-cyclohexa-1,5-dien-1-yl]-N-[2-(2-pyridyl)ethyl]propionamide Formula: C24H23BrN6O2 MolecularWeight: 507.38242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCNC(=O)CCC2=CC(=C3NC4=C(N3)C=C(C=C4)C(=N)N)C(=O)C(=C2)Br

Isomeric SMILES

C1=CC=NC(=C1)CCNC(=O)CCC2=C/C(=C\3/NC4=C(N3)C=C(C=C4)C(=N)N)/C(=O)C(=C2)Br

InChI

InChI=1S/C24H23BrN6O2/c25-18-12-14(4-7-21(32)29-10-8-16-3-1-2-9-28-16)11-17(22(18)33)24-30-19-6-5-15(23(26)27)13-20(19)31-24/h1-3,5-6,9,11-13,30-31H,4,7-8,10H2,(H3,26,27)(H,29,32)/b24-17+