N-[4-(azepan-1-ylcarbonyl)phenyl]-2-(3-carbamimidoylphenoxy)ethanamide

Systemtic Name: N-[4-(azepan-1-ylcarbonyl)phenyl]-2-(3-carbamimidoylphenoxy)ethanamide Openeye Name: N-[4-(azepane-1-carbonyl)phenyl]-2-(3-carbamimidoylphenoxy)acetamide CAS Name: N-[4-[1-azepanyl(oxo)methyl]phenyl]-2-(3-carbamimidoylphenoxy)acetamide IUPAC Name: N-[4-(azepane-1-carbonyl)phenyl]-2-(3-carbamimidoylphenoxy)acetamide Traditional Name: 2-(3-amidinophenoxy)-N-[4-(azepane-1-carbonyl)phenyl]acetamide Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C22H26N4O3/c23-21(24)17-6-5-7-19(14-17)29-15-20(27)25-18-10-8-16(9-11-18)22(28)26-12-3-1-2-4-13-26/h5-11,14H,1-4,12-13,15H2,(H3,23,24)(H,25,27)