3-(1,3-benzodioxol-5-ylmethyl)-2-(2-prop-2-ynoxyphenyl)-1,2-dihydroquinazolin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(2-prop-2-ynoxyphenyl)-1,2-dihydroquinazolin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(2-prop-2-ynoxyphenyl)-1,2-dihydroquinazolin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(2-prop-2-ynoxyphenyl)-1,2-dihydroquinazolin-4-one IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(2-prop-2-ynoxyphenyl)-1,2-dihydroquinazolin-4-one Traditional Name: 3-piperonyl-2-(2-propargyloxyphenyl)-1,2-dihydroquinazolin-4-one Formula: C25H20N2O4 MolecularWeight: 412.4373

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC=CC=C1C2NC3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C#CCOC1=CC=CC=C1C2NC3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H20N2O4/c1-2-13-29-21-10-6-4-8-19(21)24-26-20-9-5-3-7-18(20)25(28)27(24)15-17-11-12-22-23(14-17)31-16-30-22/h1,3-12,14,24,26H,13,15-16H2