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

Systemtic Name: 1-[5-[3-(3-carbamimidoylphenyl)-2-oxidanylidene-quinoxalin-1-yl]pentyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[5-[3-(3-carbamimidoylphenyl)-2-oxo-quinoxalin-1-yl]pentyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[5-[3-(3-carbamimidoylphenyl)-2-oxo-1-quinoxalinyl]pentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[5-[3-(3-carbamimidoylphenyl)-2-oxoquinoxalin-1-yl]pentyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[5-[3-(3-amidinophenyl)-2-keto-quinoxalin-1-yl]pentyl]proline Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CCCCCN2C3=CC=CC=C3N=C(C2=O)C4=CC(=CC=C4)C(=N)N)C(=O)O

Isomeric SMILES

C1CC(N(C1)CCCCCN2C3=CC=CC=C3N=C(C2=O)C4=CC(=CC=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C25H29N5O3/c26-23(27)18-9-6-8-17(16-18)22-24(31)30(20-11-3-2-10-19(20)28-22)15-5-1-4-13-29-14-7-12-21(29)25(32)33/h2-3,6,8-11,16,21H,1,4-5,7,12-15H2,(H3,26,27)(H,32,33)