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

Systemtic Name: 3-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxidanylidene-butyl]-6-bromanyl-1H-quinazoline-2,4-dione Openeye Name: 3-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxo-butyl]-6-bromo-1H-quinazoline-2,4-dione CAS Name: 3-[4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-oxobutyl]-6-bromo-1H-quinazoline-2,4-dione IUPAC Name: 3-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxobutyl]-6-bromo-1H-quinazoline-2,4-dione Traditional Name: 6-bromo-3-[4-keto-4-(4-piperonylpiperazino)butyl]-1H-quinazoline-2,4-quinone Formula: C24H25BrN4O5 MolecularWeight: 529.3831

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCCN4C(=O)C5=C(C=CC(=C5)Br)NC4=O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCCN4C(=O)C5=C(C=CC(=C5)Br)NC4=O

InChI

InChI=1S/C24H25BrN4O5/c25-17-4-5-19-18(13-17)23(31)29(24(32)26-19)7-1-2-22(30)28-10-8-27(9-11-28)14-16-3-6-20-21(12-16)34-15-33-20/h3-6,12-13H,1-2,7-11,14-15H2,(H,26,32)