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

Systemtic Name: [2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: [2-(cyclohexylmethylamino)-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-(cyclohexylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylmethylamino)-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-(cyclohexylmethylamino)-2-keto-ethyl] ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3

Isomeric SMILES

C1CCC(CC1)CNC(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3

InChI

InChI=1S/C21H25N3O4/c25-19(22-12-14-5-2-1-3-6-14)13-28-21(27)15-8-9-16-17(11-15)23-18-7-4-10-24(18)20(16)26/h8-9,11,14H,1-7,10,12-13H2,(H,22,25)