3-(1,3-benzodioxol-5-ylmethyl)-1-[(4-tert-butylphenyl)methyl]quinazoline-2,4-dione

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(4-tert-butylphenyl)methyl]quinazoline-2,4-dione Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(4-tert-butylphenyl)methyl]quinazoline-2,4-dione CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(4-tert-butylphenyl)methyl]quinazoline-2,4-dione IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(4-tert-butylphenyl)methyl]quinazoline-2,4-dione Traditional Name: 1-(4-tert-butylbenzyl)-3-piperonyl-quinazoline-2,4-quinone Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H26N2O4/c1-27(2,3)20-11-8-18(9-12-20)15-28-22-7-5-4-6-21(22)25(30)29(26(28)31)16-19-10-13-23-24(14-19)33-17-32-23/h4-14H,15-17H2,1-3H3