tert-butyl 4-[[2-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-4-phenyl-quinazolin-6-yl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[2-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-4-phenyl-quinazolin-6-yl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[2-[(2-ethoxy-2-oxo-ethyl)amino]-4-phenyl-quinazolin-6-yl]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[[2-[(2-ethoxy-2-oxoethyl)amino]-4-phenyl-6-quinazolinyl]amino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-[(2-ethoxy-2-oxoethyl)amino]-4-phenylquinazolin-6-yl]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[2-[(2-ethoxy-2-keto-ethyl)amino]-4-phenyl-quinazolin-6-yl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H35N5O5 MolecularWeight: 533.6187

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC1=NC2=C(C=C(C=C2)NC(=O)C3CCN(CC3)C(=O)OC(C)(C)C)C(=N1)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CNC1=NC2=C(C=C(C=C2)NC(=O)C3CCN(CC3)C(=O)OC(C)(C)C)C(=N1)C4=CC=CC=C4

InChI

InChI=1S/C29H35N5O5/c1-5-38-24(35)18-30-27-32-23-12-11-21(17-22(23)25(33-27)19-9-7-6-8-10-19)31-26(36)20-13-15-34(16-14-20)28(37)39-29(2,3)4/h6-12,17,20H,5,13-16,18H2,1-4H3,(H,31,36)(H,30,32,33)