N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(4-ethanimidoylpiperazin-1-yl)carbonyl-benzamide

Systemtic Name: N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(4-ethanimidoylpiperazin-1-yl)carbonyl-benzamide Openeye Name: N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(4-ethanimidoylpiperazine-1-carbonyl)benzamide CAS Name: N-[2-(3-carbamimidoylphenoxy)ethyl]-4-[[4-(1-iminoethyl)-1-piperazinyl]-oxomethyl]benzamide IUPAC Name: N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(4-ethanimidoylpiperazine-1-carbonyl)benzamide Traditional Name: 4-(4-acetimidoylpiperazine-1-carbonyl)-N-[2-(3-amidinophenoxy)ethyl]benzamide Formula: C23H28N6O3 MolecularWeight: 436.50682

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCN(CC1)C(=O)C2=CC=C(C=C2)C(=O)NCCOC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CC(=N)N1CCN(CC1)C(=O)C2=CC=C(C=C2)C(=O)NCCOC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C23H28N6O3/c1-16(24)28-10-12-29(13-11-28)23(31)18-7-5-17(6-8-18)22(30)27-9-14-32-20-4-2-3-19(15-20)21(25)26/h2-8,15,24H,9-14H2,1H3,(H3,25,26)(H,27,30)