3-(1,3-benzodioxol-5-ylmethyl)-N-butan-2-yl-2,4-bis(oxidanylidene)-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-butan-2-yl-2,4-bis(oxidanylidene)-1H-quinazoline-7-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2,4-dioxo-N-sec-butyl-1H-quinazoline-7-carboxamide CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-butan-2-yl-2,4-dioxo-1H-quinazoline-7-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-butan-2-yl-2,4-dioxo-1H-quinazoline-7-carboxamide Traditional Name: 2,4-diketo-3-piperonyl-N-sec-butyl-1H-quinazoline-7-carboxamide Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=O)N2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=O)N2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N3O5/c1-3-12(2)22-19(25)14-5-6-15-16(9-14)23-21(27)24(20(15)26)10-13-4-7-17-18(8-13)29-11-28-17/h4-9,12H,3,10-11H2,1-2H3,(H,22,25)(H,23,27)