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

Systemtic Name: tert-butyl 4-[[7-chloranyl-3-methyl-4-oxidanylidene-2-(pyrrolidin-1-ylmethyl)quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoate Openeye Name: tert-butyl 4-[[7-chloro-3-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoate CAS Name: 4-[[7-chloro-3-methyl-4-oxo-2-(1-pyrrolidinylmethyl)-6-quinazolinyl]methyl-prop-2-ynylamino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[7-chloro-3-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)quinazolin-6-yl]methyl-prop-2-ynylamino]benzoate Traditional Name: 4-[[7-chloro-4-keto-3-methyl-2-(pyrrolidinomethyl)quinazolin-6-yl]methyl-propargyl-amino]benzoic acid tert-butyl ester Formula: C29H33ClN4O3 MolecularWeight: 521.05032

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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)CN4CCCC4)C)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)CN4CCCC4)C)Cl

InChI

InChI=1S/C29H33ClN4O3/c1-6-13-34(22-11-9-20(10-12-22)28(36)37-29(2,3)4)18-21-16-23-25(17-24(21)30)31-26(32(5)27(23)35)19-33-14-7-8-15-33/h1,9-12,16-17H,7-8,13-15,18-19H2,2-5H3