ethyl 8-cyano-7-(4-methoxyphenyl)-6-[[methyl-(phenylmethyl)amino]methyl]-4-oxidanylidene-1-(phenylmethyl)pyrrolo[1,2-a]pyrimidine-3-carboxylate

Systemtic Name: ethyl 8-cyano-7-(4-methoxyphenyl)-6-[[methyl-(phenylmethyl)amino]methyl]-4-oxidanylidene-1-(phenylmethyl)pyrrolo[1,2-a]pyrimidine-3-carboxylate Openeye Name: ethyl 1-benzyl-6-[[benzyl(methyl)amino]methyl]-8-cyano-7-(4-methoxyphenyl)-4-oxo-pyrrolo[1,2-a]pyrimidine-3-carboxylate CAS Name: 8-cyano-7-(4-methoxyphenyl)-6-[[methyl-(phenylmethyl)amino]methyl]-4-oxo-1-(phenylmethyl)-3-pyrrolo[1,2-a]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-6-[[benzyl(methyl)amino]methyl]-8-cyano-7-(4-methoxyphenyl)-4-oxopyrrolo[1,2-a]pyrimidine-3-carboxylate Traditional Name: 1-benzyl-6-[[benzyl(methyl)amino]methyl]-8-cyano-4-keto-7-(4-methoxyphenyl)pyrrolo[1,2-a]pyrimidine-3-carboxylic acid ethyl ester Formula: C34H32N4O4 MolecularWeight: 560.64228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C(=C(N2C1=O)CN(C)CC3=CC=CC=C3)C4=CC=C(C=C4)OC)C#N)CC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C(=C(N2C1=O)CN(C)CC3=CC=CC=C3)C4=CC=C(C=C4)OC)C#N)CC5=CC=CC=C5

InChI

InChI=1S/C34H32N4O4/c1-4-42-34(40)29-22-37(21-25-13-9-6-10-14-25)32-28(19-35)31(26-15-17-27(41-3)18-16-26)30(38(32)33(29)39)23-36(2)20-24-11-7-5-8-12-24/h5-18,22H,4,20-21,23H2,1-3H3