[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate CAS Name: 1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate Traditional Name: 1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C22H22N4O3/c23-11-5-13-26(14-6-12-24)20(27)15-29-22(28)21-16-7-1-3-9-18(16)25-19-10-4-2-8-17(19)21/h1,3,7,9H,2,4-6,8,10,13-15H2