tert-butyl 4-[[7-chloranyl-3-(2-methoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-2-(piperidin-1-ylmethyl)quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoate

Systemtic Name: tert-butyl 4-[[7-chloranyl-3-(2-methoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-2-(piperidin-1-ylmethyl)quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoate Openeye Name: tert-butyl 4-[[7-chloro-3-(2-methoxy-2-oxo-ethyl)-4-oxo-2-(1-piperidylmethyl)quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoate CAS Name: 4-[[7-chloro-3-(2-methoxy-2-oxoethyl)-4-oxo-2-(1-piperidinylmethyl)-6-quinazolinyl]methyl-prop-2-ynylamino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[7-chloro-3-(2-methoxy-2-oxoethyl)-4-oxo-2-(piperidin-1-ylmethyl)quinazolin-6-yl]methyl-prop-2-ynylamino]benzoate Traditional Name: 4-[[7-chloro-4-keto-3-(2-keto-2-methoxy-ethyl)-2-(piperidinomethyl)quinazolin-6-yl]methyl-propargyl-amino]benzoic acid tert-butyl ester Formula: C32H37ClN4O5 MolecularWeight: 593.11298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)N(CC#C)CC2=C(C=C3C(=C2)C(=O)N(C(=N3)CN4CCCCC4)CC(=O)OC)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)N(CC#C)CC2=C(C=C3C(=C2)C(=O)N(C(=N3)CN4CCCCC4)CC(=O)OC)Cl

InChI

InChI=1S/C32H37ClN4O5/c1-6-14-36(24-12-10-22(11-13-24)31(40)42-32(2,3)4)19-23-17-25-27(18-26(23)33)34-28(20-35-15-8-7-9-16-35)37(30(25)39)21-29(38)41-5/h1,10-13,17-18H,7-9,14-16,19-21H2,2-5H3