3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]-6,7-dimethoxy-1H-quinazoline-2,4-dione

Systemtic Name: 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]-6,7-dimethoxy-1H-quinazoline-2,4-dione Openeye Name: 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxo-propyl]-6,7-dimethoxy-1H-quinazoline-2,4-dione CAS Name: 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-oxopropyl]-6,7-dimethoxy-1H-quinazoline-2,4-dione IUPAC Name: 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropyl]-6,7-dimethoxy-1H-quinazoline-2,4-dione Traditional Name: 3-[3-keto-3-(4-piperonylpiperazino)propyl]-6,7-dimethoxy-1H-quinazoline-2,4-quinone Formula: C25H28N4O7 MolecularWeight: 496.51242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C25H28N4O7/c1-33-20-12-17-18(13-21(20)34-2)26-25(32)29(24(17)31)6-5-23(30)28-9-7-27(8-10-28)14-16-3-4-19-22(11-16)36-15-35-19/h3-4,11-13H,5-10,14-15H2,1-2H3,(H,26,32)