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

Systemtic Name: tert-butyl 4-[[7-chloranyl-3-(2-dimethylaminoethyl)-4-oxidanylidene-2-(piperidin-1-ylmethyl)quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoate Openeye Name: tert-butyl 4-[[7-chloro-3-(2-dimethylaminoethyl)-4-oxo-2-(1-piperidylmethyl)quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoate CAS Name: 4-[[7-chloro-3-(2-dimethylaminoethyl)-4-oxo-2-(1-piperidinylmethyl)-6-quinazolinyl]methyl-prop-2-ynylamino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[7-chloro-3-(2-dimethylaminoethyl)-4-oxo-2-(piperidin-1-ylmethyl)quinazolin-6-yl]methyl-prop-2-ynylamino]benzoate Traditional Name: 4-[[7-chloro-3-(2-dimethylaminoethyl)-4-keto-2-(piperidinomethyl)quinazolin-6-yl]methyl-propargyl-amino]benzoic acid tert-butyl ester Formula: C33H42ClN5O3 MolecularWeight: 592.17128

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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)CN4CCCCC4)CCN(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)CN4CCCCC4)CCN(C)C)Cl

InChI

InChI=1S/C33H42ClN5O3/c1-7-15-38(26-13-11-24(12-14-26)32(41)42-33(2,3)4)22-25-20-27-29(21-28(25)34)35-30(23-37-16-9-8-10-17-37)39(31(27)40)19-18-36(5)6/h1,11-14,20-21H,8-10,15-19,22-23H2,2-6H3