tert-butyl 4-(3-methyl-4-oxidanylidene-2-phenyl-chromen-8-yl)carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(3-methyl-4-oxidanylidene-2-phenyl-chromen-8-yl)carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(3-methyl-4-oxo-2-phenyl-chromene-8-carbonyl)piperazine-1-carboxylate CAS Name: 4-[(3-methyl-4-oxo-2-phenyl-1-benzopyran-8-yl)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(4-keto-3-methyl-2-phenyl-chromene-8-carbonyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C26H28N2O5 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)N3CCN(CC3)C(=O)OC(C)(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)N3CCN(CC3)C(=O)OC(C)(C)C)C4=CC=CC=C4

InChI

InChI=1S/C26H28N2O5/c1-17-21(29)19-11-8-12-20(23(19)32-22(17)18-9-6-5-7-10-18)24(30)27-13-15-28(16-14-27)25(31)33-26(2,3)4/h5-12H,13-16H2,1-4H3