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

Systemtic Name: tert-butyl 4-[[7-chloranyl-3-methyl-2-[(4-methylpiperazin-1-yl)methyl]-4-oxidanylidene-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoate Openeye Name: tert-butyl 4-[[7-chloro-3-methyl-2-[(4-methylpiperazin-1-yl)methyl]-4-oxo-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoate CAS Name: 4-[[7-chloro-3-methyl-2-[(4-methyl-1-piperazinyl)methyl]-4-oxo-6-quinazolinyl]methyl-prop-2-ynylamino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[7-chloro-3-methyl-2-[(4-methylpiperazin-1-yl)methyl]-4-oxoquinazolin-6-yl]methyl-prop-2-ynylamino]benzoate Traditional Name: 4-[[7-chloro-4-keto-3-methyl-2-[(4-methylpiperazino)methyl]quinazolin-6-yl]methyl-propargyl-amino]benzoic acid tert-butyl ester Formula: C30H36ClN5O3 MolecularWeight: 550.09154

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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)CN4CCN(CC4)C)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)CN4CCN(CC4)C)C)Cl

InChI

InChI=1S/C30H36ClN5O3/c1-7-12-36(23-10-8-21(9-11-23)29(38)39-30(2,3)4)19-22-17-24-26(18-25(22)31)32-27(34(6)28(24)37)20-35-15-13-33(5)14-16-35/h1,8-11,17-18H,12-16,19-20H2,2-6H3