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

Systemtic Name: methyl 4-[(3-carbamimidoylphenyl)methyl]-2-oxidanylidene-3-[(E)-2-phenylethenyl]-1,3-dihydropyrazine-6-carboxylate Openeye Name: methyl 4-[(3-carbamimidoylphenyl)methyl]-2-oxo-3-[(E)-styryl]-1,3-dihydropyrazine-6-carboxylate CAS Name: 4-[(3-carbamimidoylphenyl)methyl]-2-oxo-3-[(E)-2-phenylethenyl]-1,3-dihydropyrazine-6-carboxylic acid methyl ester IUPAC Name: methyl 4-[(3-carbamimidoylphenyl)methyl]-2-oxo-3-[(E)-2-phenylethenyl]-1,3-dihydropyrazine-6-carboxylate Traditional Name: 4-(3-amidinobenzyl)-2-keto-3-[(E)-styryl]-1,3-dihydropyrazine-6-carboxylic acid methyl ester Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(C(=O)N1)C=CC2=CC=CC=C2)CC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

COC(=O)C1=CN(C(C(=O)N1)/C=C/C2=CC=CC=C2)CC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C22H22N4O3/c1-29-22(28)18-14-26(13-16-8-5-9-17(12-16)20(23)24)19(21(27)25-18)11-10-15-6-3-2-4-7-15/h2-12,14,19H,13H2,1H3,(H3,23,24)(H,25,27)/b11-10+