ethyl 3-ethyl-2-oxidanylidene-4-[[4-(phenylmethyl)piperazin-1-yl]methyl]-6-(4-propan-2-ylphenyl)-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-ethyl-2-oxidanylidene-4-[[4-(phenylmethyl)piperazin-1-yl]methyl]-6-(4-propan-2-ylphenyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[(4-benzylpiperazin-1-yl)methyl]-3-ethyl-6-(4-isopropylphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-2-oxo-4-[[4-(phenylmethyl)-1-piperazinyl]methyl]-6-(4-propan-2-ylphenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-benzylpiperazin-1-yl)methyl]-3-ethyl-2-oxo-6-(4-propan-2-ylphenyl)-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[(4-benzylpiperazino)methyl]-3-ethyl-2-keto-6-p-cumenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C30H40N4O3 MolecularWeight: 504.6636

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC=C(C=C2)C(C)C)C(=O)OCC)CN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC=C(C=C2)C(C)C)C(=O)OCC)CN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C30H40N4O3/c1-5-34-26(21-33-18-16-32(17-19-33)20-23-10-8-7-9-11-23)27(29(35)37-6-2)28(31-30(34)36)25-14-12-24(13-15-25)22(3)4/h7-15,22,28H,5-6,16-21H2,1-4H3,(H,31,36)