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

Systemtic Name: tert-butyl 4-[[7-chloranyl-3-methyl-4-oxidanylidene-2-[(4-oxidanylpiperidin-1-yl)methyl]quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoate Openeye Name: tert-butyl 4-[[7-chloro-2-[(4-hydroxy-1-piperidyl)methyl]-3-methyl-4-oxo-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoate CAS Name: 4-[[7-chloro-2-[(4-hydroxy-1-piperidinyl)methyl]-3-methyl-4-oxo-6-quinazolinyl]methyl-prop-2-ynylamino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[7-chloro-2-[(4-hydroxypiperidin-1-yl)methyl]-3-methyl-4-oxoquinazolin-6-yl]methyl-prop-2-ynylamino]benzoate Traditional Name: 4-[[7-chloro-2-[(4-hydroxypiperidino)methyl]-4-keto-3-methyl-quinazolin-6-yl]methyl-propargyl-amino]benzoic acid tert-butyl ester Formula: C30H35ClN4O4 MolecularWeight: 551.0763

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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)CN4CCC(CC4)O)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)CN4CCC(CC4)O)C)Cl

InChI

InChI=1S/C30H35ClN4O4/c1-6-13-35(22-9-7-20(8-10-22)29(38)39-30(2,3)4)18-21-16-24-26(17-25(21)31)32-27(33(5)28(24)37)19-34-14-11-23(36)12-15-34/h1,7-10,16-17,23,36H,11-15,18-19H2,2-5H3