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

Systemtic Name: [1-[(2-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: [1-methyl-2-[(2-methylcyclohexyl)amino]-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-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-methylcyclohexyl)amino]-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-keto-1-methyl-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)OC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3

Isomeric SMILES

CC1CCCCC1NC(=O)C(C)OC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3

InChI

InChI=1S/C22H27N3O4/c1-13-6-3-4-7-17(13)24-20(26)14(2)29-22(28)15-9-10-16-18(12-15)23-19-8-5-11-25(19)21(16)27/h9-10,12-14,17H,3-8,11H2,1-2H3,(H,24,26)