2-[2-(3-aminophenyl)-6-fluoranyl-5-(propan-2-ylamino)cyclohexa-2,4-dien-1-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide

Systemtic Name: 2-[2-(3-aminophenyl)-6-fluoranyl-5-(propan-2-ylamino)cyclohexa-2,4-dien-1-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide Openeye Name: 2-[2-(3-aminophenyl)-6-fluoro-5-(isopropylamino)cyclohexa-2,4-dien-1-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide CAS Name: 2-[2-(3-aminophenyl)-6-fluoro-5-(propan-2-ylamino)-1-cyclohexa-2,4-dienyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide IUPAC Name: 2-[2-(3-aminophenyl)-6-fluoro-5-(propan-2-ylamino)cyclohexa-2,4-dien-1-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[2-(3-aminophenyl)-6-fluoro-5-(isopropylamino)cyclohexa-2,4-dien-1-yl]acetamide Formula: C25H30FN5O MolecularWeight: 435.537003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=CC=C(C(C1F)CC(=O)NCC2=CC=C(C=C2)C(=N)N)C3=CC(=CC=C3)N

Isomeric SMILES

CC(C)NC1=CC=C(C(C1F)CC(=O)NCC2=CC=C(C=C2)C(=N)N)C3=CC(=CC=C3)N

InChI

InChI=1S/C25H30FN5O/c1-15(2)31-22-11-10-20(18-4-3-5-19(27)12-18)21(24(22)26)13-23(32)30-14-16-6-8-17(9-7-16)25(28)29/h3-12,15,21,24,31H,13-14,27H2,1-2H3,(H3,28,29)(H,30,32)