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

Systemtic Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-3-pentyl-1H-quinazoline-2,4-dione Openeye Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-3-pentyl-1H-quinazoline-2,4-dione CAS Name: 7-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-3-pentyl-1H-quinazoline-2,4-dione IUPAC Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-3-pentyl-1H-quinazoline-2,4-dione Traditional Name: 3-amyl-7-(4-piperonylpiperazine-1-carbonyl)-1H-quinazoline-2,4-quinone Formula: C26H30N4O5 MolecularWeight: 478.5402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)NC1=O

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)NC1=O

InChI

InChI=1S/C26H30N4O5/c1-2-3-4-9-30-25(32)20-7-6-19(15-21(20)27-26(30)33)24(31)29-12-10-28(11-13-29)16-18-5-8-22-23(14-18)35-17-34-22/h5-8,14-15H,2-4,9-13,16-17H2,1H3,(H,27,33)