N-(1,3-benzodioxol-5-ylmethyl)-3-[6,7-dimethoxy-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[6,7-dimethoxy-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)propanamide Traditional Name: 3-(2,4-diketo-6,7-dimethoxy-1H-quinazolin-3-yl)-N-piperonyl-propionamide Formula: C21H21N3O7 MolecularWeight: 427.40734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CCC(=O)NCC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CCC(=O)NCC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C21H21N3O7/c1-28-16-8-13-14(9-17(16)29-2)23-21(27)24(20(13)26)6-5-19(25)22-10-12-3-4-15-18(7-12)31-11-30-15/h3-4,7-9H,5-6,10-11H2,1-2H3,(H,22,25)(H,23,27)