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

Systemtic Name: tert-butyl 4-[[7-chloranyl-3-methyl-4-oxidanylidene-2-(piperidin-1-ylmethyl)quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoate Openeye Name: tert-butyl 4-[[7-chloro-3-methyl-4-oxo-2-(1-piperidylmethyl)quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoate CAS Name: 4-[[7-chloro-3-methyl-4-oxo-2-(1-piperidinylmethyl)-6-quinazolinyl]methyl-prop-2-ynylamino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[7-chloro-3-methyl-4-oxo-2-(piperidin-1-ylmethyl)quinazolin-6-yl]methyl-prop-2-ynylamino]benzoate Traditional Name: 4-[[7-chloro-4-keto-3-methyl-2-(piperidinomethyl)quinazolin-6-yl]methyl-propargyl-amino]benzoic acid tert-butyl ester Formula: C30H35ClN4O3 MolecularWeight: 535.0769

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)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)CN4CCCCC4)C)Cl

InChI

InChI=1S/C30H35ClN4O3/c1-6-14-35(23-12-10-21(11-13-23)29(37)38-30(2,3)4)19-22-17-24-26(18-25(22)31)32-27(33(5)28(24)36)20-34-15-8-7-9-16-34/h1,10-13,17-18H,7-9,14-16,19-20H2,2-5H3