[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate CAS Name: 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate Traditional Name: 9-keto-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)COC(=O)C1=CC2=C(C=C1)C(=O)N3CCCC3=N2

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)COC(=O)C1=CC2=C(C=C1)C(=O)N3CCCC3=N2

InChI

InChI=1S/C20H24N4O5/c1-12(2)7-8-21-20(28)23-17(25)11-29-19(27)13-5-6-14-15(10-13)22-16-4-3-9-24(16)18(14)26/h5-6,10,12H,3-4,7-9,11H2,1-2H3,(H2,21,23,25,28)