methyl 2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazinyl]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[(4-veratrylpiperazino)methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C24H28N4O5 MolecularWeight: 452.50292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)CC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)CC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC)OC

InChI

InChI=1S/C24H28N4O5/c1-31-20-7-4-16(12-21(20)32-2)14-27-8-10-28(11-9-27)15-22-25-19-13-17(24(30)33-3)5-6-18(19)23(29)26-22/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,25,26,29)