N-[2-(3-carbamimidoylphenoxy)ethyl]-4-piperazin-1-ylcarbonyl-benzamide

Systemtic Name: N-[2-(3-carbamimidoylphenoxy)ethyl]-4-piperazin-1-ylcarbonyl-benzamide Openeye Name: N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(piperazine-1-carbonyl)benzamide CAS Name: N-[2-(3-carbamimidoylphenoxy)ethyl]-4-[oxo(1-piperazinyl)methyl]benzamide IUPAC Name: N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(piperazine-1-carbonyl)benzamide Traditional Name: N-[2-(3-amidinophenoxy)ethyl]-4-(piperazine-1-carbonyl)benzamide Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2=CC=C(C=C2)C(=O)NCCOC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

C1CN(CCN1)C(=O)C2=CC=C(C=C2)C(=O)NCCOC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C21H25N5O3/c22-19(23)17-2-1-3-18(14-17)29-13-10-25-20(27)15-4-6-16(7-5-15)21(28)26-11-8-24-9-12-26/h1-7,14,24H,8-13H2,(H3,22,23)(H,25,27)