3-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-1H-quinazoline-2,4-dione

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-1H-quinazoline-2,4-dione Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-7-[4-(2-pyridyl)piperazine-1-carbonyl]-1H-quinazoline-2,4-dione CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-7-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-1H-quinazoline-2,4-dione IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione Traditional Name: 3-homoveratryl-7-[4-(2-pyridyl)piperazine-1-carbonyl]-1H-quinazoline-2,4-quinone Formula: C28H29N5O5 MolecularWeight: 515.56036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=N5)NC2=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=N5)NC2=O)OC

InChI

InChI=1S/C28H29N5O5/c1-37-23-9-6-19(17-24(23)38-2)10-12-33-27(35)21-8-7-20(18-22(21)30-28(33)36)26(34)32-15-13-31(14-16-32)25-5-3-4-11-29-25/h3-9,11,17-18H,10,12-16H2,1-2H3,(H,30,36)