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

Systemtic Name: tert-butyl 4-[[7-chloranyl-4-oxidanylidene-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-2-(piperidin-1-ylmethyl)quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoate Openeye Name: tert-butyl 4-[[7-chloro-4-oxo-3-[2-oxo-2-(1-piperidyl)ethyl]-2-(1-piperidylmethyl)quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoate CAS Name: 4-[[7-chloro-4-oxo-3-[2-oxo-2-(1-piperidinyl)ethyl]-2-(1-piperidinylmethyl)-6-quinazolinyl]methyl-prop-2-ynylamino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[7-chloro-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-2-(piperidin-1-ylmethyl)quinazolin-6-yl]methyl-prop-2-ynylamino]benzoate Traditional Name: 4-[[7-chloro-4-keto-3-(2-keto-2-piperidino-ethyl)-2-(piperidinomethyl)quinazolin-6-yl]methyl-propargyl-amino]benzoic acid tert-butyl ester Formula: C36H44ClN5O4 MolecularWeight: 646.21866

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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)N5CCCCC5)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)N5CCCCC5)Cl

InChI

InChI=1S/C36H44ClN5O4/c1-5-16-41(28-14-12-26(13-15-28)35(45)46-36(2,3)4)23-27-21-29-31(22-30(27)37)38-32(24-39-17-8-6-9-18-39)42(34(29)44)25-33(43)40-19-10-7-11-20-40/h1,12-15,21-22H,6-11,16-20,23-25H2,2-4H3