methyl 4-[(4-carbamimidoylphenyl)methyl]-2-oxidanylidene-3-(3-phenoxyphenyl)-1,3-dihydropyrazine-6-carboxylate

Systemtic Name: methyl 4-[(4-carbamimidoylphenyl)methyl]-2-oxidanylidene-3-(3-phenoxyphenyl)-1,3-dihydropyrazine-6-carboxylate Openeye Name: methyl 4-[(4-carbamimidoylphenyl)methyl]-2-oxo-3-(3-phenoxyphenyl)-1,3-dihydropyrazine-6-carboxylate CAS Name: 4-[(4-carbamimidoylphenyl)methyl]-2-oxo-3-(3-phenoxyphenyl)-1,3-dihydropyrazine-6-carboxylic acid methyl ester IUPAC Name: methyl 4-[(4-carbamimidoylphenyl)methyl]-2-oxo-3-(3-phenoxyphenyl)-1,3-dihydropyrazine-6-carboxylate Traditional Name: 4-(4-amidinobenzyl)-2-keto-3-(3-phenoxyphenyl)-1,3-dihydropyrazine-6-carboxylic acid methyl ester Formula: C26H24N4O4 MolecularWeight: 456.49316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(C(=O)N1)C2=CC(=CC=C2)OC3=CC=CC=C3)CC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

COC(=O)C1=CN(C(C(=O)N1)C2=CC(=CC=C2)OC3=CC=CC=C3)CC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C26H24N4O4/c1-33-26(32)22-16-30(15-17-10-12-18(13-11-17)24(27)28)23(25(31)29-22)19-6-5-9-21(14-19)34-20-7-3-2-4-8-20/h2-14,16,23H,15H2,1H3,(H3,27,28)(H,29,31)