methyl 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[(4-piperonylpiperazino)methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C23H24N4O5 MolecularWeight: 436.46046

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H24N4O5/c1-30-23(29)16-3-4-17-18(11-16)24-21(25-22(17)28)13-27-8-6-26(7-9-27)12-15-2-5-19-20(10-15)32-14-31-19/h2-5,10-11H,6-9,12-14H2,1H3,(H,24,25,28)