[1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate

Systemtic Name: [1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: [2-(1-adamantylamino)-1-methyl-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 [1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantylamino)-1-oxopropan-2-yl] 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-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC5=C(C=C4)C(=O)N6CCCC6=N5

Isomeric SMILES

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC5=C(C=C4)C(=O)N6CCCC6=N5

InChI

InChI=1S/C25H29N3O4/c1-14(22(29)27-25-11-15-7-16(12-25)9-17(8-15)13-25)32-24(31)18-4-5-19-20(10-18)26-21-3-2-6-28(21)23(19)30/h4-5,10,14-17H,2-3,6-9,11-13H2,1H3,(H,27,29)