tert-butyl 4-[[7-chloranyl-3-methyl-4-oxidanylidene-2-[(4-phenylpiperazin-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-phenylpiperazin-1-yl)methyl]quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoate Openeye Name: tert-butyl 4-[[7-chloro-3-methyl-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoate CAS Name: 4-[[7-chloro-3-methyl-4-oxo-2-[(4-phenyl-1-piperazinyl)methyl]-6-quinazolinyl]methyl-prop-2-ynylamino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[7-chloro-3-methyl-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]quinazolin-6-yl]methyl-prop-2-ynylamino]benzoate Traditional Name: 4-[[7-chloro-4-keto-3-methyl-2-[(4-phenylpiperazino)methyl]quinazolin-6-yl]methyl-propargyl-amino]benzoic acid tert-butyl ester Formula: C35H38ClN5O3 MolecularWeight: 612.16092

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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)C5=CC=CC=C5)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)C5=CC=CC=C5)C)Cl

InChI

InChI=1S/C35H38ClN5O3/c1-6-16-41(28-14-12-25(13-15-28)34(43)44-35(2,3)4)23-26-21-29-31(22-30(26)36)37-32(38(5)33(29)42)24-39-17-19-40(20-18-39)27-10-8-7-9-11-27/h1,7-15,21-22H,16-20,23-24H2,2-5H3