ethyl 1-[1-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]cyclopropyl]carbonylpiperidine-2-carboxylate

Systemtic Name: ethyl 1-[1-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]cyclopropyl]carbonylpiperidine-2-carboxylate Openeye Name: ethyl 1-[1-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-quinoxalin-6-yl]cyclopropanecarbonyl]piperidine-2-carboxylate CAS Name: 1-[[1-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-6-quinoxalinyl]cyclopropyl]-oxomethyl]-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxoquinoxalin-6-yl]cyclopropanecarbonyl]piperidine-2-carboxylate Traditional Name: 1-[1-[3-(4-amidinobenzyl)-2-keto-1-methyl-quinoxalin-6-yl]cyclopropanecarbonyl]pipecolinic acid ethyl ester Formula: C29H33N5O4 MolecularWeight: 515.60342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCN1C(=O)C2(CC2)C3=CC4=C(C=C3)N(C(=O)C(=N4)CC5=CC=C(C=C5)C(=N)N)C

Isomeric SMILES

CCOC(=O)C1CCCCN1C(=O)C2(CC2)C3=CC4=C(C=C3)N(C(=O)C(=N4)CC5=CC=C(C=C5)C(=N)N)C

InChI

InChI=1S/C29H33N5O4/c1-3-38-27(36)24-6-4-5-15-34(24)28(37)29(13-14-29)20-11-12-23-21(17-20)32-22(26(35)33(23)2)16-18-7-9-19(10-8-18)25(30)31/h7-12,17,24H,3-6,13-16H2,1-2H3,(H3,30,31)