tert-butyl 3-[[3-(2-butyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl)phenyl]amino]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[3-(2-butyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl)phenyl]amino]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-[3-(2-butyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl)anilino]pyrrolidine-1-carboxylate CAS Name: 3-[3-(2-butyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl)anilino]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-(2-butyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)anilino]pyrrolidine-1-carboxylate Traditional Name: 3-[3-(2-butyl-4-keto-pyrido[1,2-a]pyrimidin-3-yl)anilino]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C27H34N4O3 MolecularWeight: 462.58386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)N2C=CC=CC2=N1)C3=CC(=CC=C3)NC4CCN(C4)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCC1=C(C(=O)N2C=CC=CC2=N1)C3=CC(=CC=C3)NC4CCN(C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H34N4O3/c1-5-6-12-22-24(25(32)31-15-8-7-13-23(31)29-22)19-10-9-11-20(17-19)28-21-14-16-30(18-21)26(33)34-27(2,3)4/h7-11,13,15,17,21,28H,5-6,12,14,16,18H2,1-4H3