1-[5-[3-(3-carbamimidoylphenyl)-2-oxidanylidene-quinoxalin-1-yl]pentyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[5-[3-(3-carbamimidoylphenyl)-2-oxidanylidene-quinoxalin-1-yl]pentyl]piperidine-2-carboxylic acid Openeye Name: 1-[5-[3-(3-carbamimidoylphenyl)-2-oxo-quinoxalin-1-yl]pentyl]piperidine-2-carboxylic acid CAS Name: 1-[5-[3-(3-carbamimidoylphenyl)-2-oxo-1-quinoxalinyl]pentyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[5-[3-(3-carbamimidoylphenyl)-2-oxoquinoxalin-1-yl]pentyl]piperidine-2-carboxylic acid Traditional Name: 1-[5-[3-(3-amidinophenyl)-2-keto-quinoxalin-1-yl]pentyl]pipecolinic acid Formula: C26H31N5O3 MolecularWeight: 461.55604

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)CCCCCN2C3=CC=CC=C3N=C(C2=O)C4=CC(=CC=C4)C(=N)N

Isomeric SMILES

C1CCN(C(C1)C(=O)O)CCCCCN2C3=CC=CC=C3N=C(C2=O)C4=CC(=CC=C4)C(=N)N

InChI

InChI=1S/C26H31N5O3/c27-24(28)19-10-8-9-18(17-19)23-25(32)31(21-12-3-2-11-20(21)29-23)16-6-1-5-14-30-15-7-4-13-22(30)26(33)34/h2-3,8-12,17,22H,1,4-7,13-16H2,(H3,27,28)(H,33,34)