7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-3-phenethyl-1H-quinazoline-2,4-dione

Systemtic Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-3-phenethyl-1H-quinazoline-2,4-dione Openeye Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-3-phenethyl-1H-quinazoline-2,4-dione CAS Name: 7-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-3-phenethyl-1H-quinazoline-2,4-dione IUPAC Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-3-phenethyl-1H-quinazoline-2,4-dione Traditional Name: 3-phenethyl-7-(4-piperonylpiperazine-1-carbonyl)-1H-quinazoline-2,4-quinone Formula: C29H28N4O5 MolecularWeight: 512.55642

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(C=C4)C(=O)N(C(=O)N5)CCC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(C=C4)C(=O)N(C(=O)N5)CCC6=CC=CC=C6

InChI

InChI=1S/C29H28N4O5/c34-27(32-14-12-31(13-15-32)18-21-6-9-25-26(16-21)38-19-37-25)22-7-8-23-24(17-22)30-29(36)33(28(23)35)11-10-20-4-2-1-3-5-20/h1-9,16-17H,10-15,18-19H2,(H,30,36)