N-(1,3-benzodioxol-5-ylmethyl)-3-[1-[(4-methylphenyl)methyl]-2,4-bis(oxidanylidene)quinazolin-3-yl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[1-[(4-methylphenyl)methyl]-2,4-bis(oxidanylidene)quinazolin-3-yl]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[2,4-dioxo-1-(p-tolylmethyl)quinazolin-3-yl]propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[1-[(4-methylphenyl)methyl]-2,4-dioxo-3-quinazolinyl]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]propanamide Traditional Name: 3-[2,4-diketo-1-(4-methylbenzyl)quinazolin-3-yl]-N-piperonyl-propionamide Formula: C27H25N3O5 MolecularWeight: 471.5045

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)N(C2=O)CCC(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)N(C2=O)CCC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H25N3O5/c1-18-6-8-19(9-7-18)16-30-22-5-3-2-4-21(22)26(32)29(27(30)33)13-12-25(31)28-15-20-10-11-23-24(14-20)35-17-34-23/h2-11,14H,12-13,15-17H2,1H3,(H,28,31)