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

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

Click to see the large picture

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)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)Cl

InChI

InChI=1S/C29H33ClN4O3/c1-5-13-34(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(32-27(23)35)19-33-14-7-6-8-15-33/h1,9-12,16-17H,6-8,13-15,18-19H2,2-4H3,(H,31,32,35)