tert-butyl 4-[(6-methoxy-4-oxidanylidene-1H-quinolin-3-yl)carbamoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(6-methoxy-4-oxidanylidene-1H-quinolin-3-yl)carbamoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(6-methoxy-4-oxo-1H-quinolin-3-yl)carbamoyl]piperazine-1-carboxylate CAS Name: 4-[[(6-methoxy-4-oxo-1H-quinolin-3-yl)amino]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(6-methoxy-4-oxo-1H-quinolin-3-yl)carbamoyl]piperazine-1-carboxylate Traditional Name: 4-[(4-keto-6-methoxy-1H-quinolin-3-yl)carbamoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H26N4O5 MolecularWeight: 402.44424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)NC2=CNC3=C(C2=O)C=C(C=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)NC2=CNC3=C(C2=O)C=C(C=C3)OC

InChI

InChI=1S/C20H26N4O5/c1-20(2,3)29-19(27)24-9-7-23(8-10-24)18(26)22-16-12-21-15-6-5-13(28-4)11-14(15)17(16)25/h5-6,11-12H,7-10H2,1-4H3,(H,21,25)(H,22,26)