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

Systemtic Name: tert-butyl 4-[[7-chloranyl-2-[(4-ethylpiperazin-1-yl)methyl]-3-methyl-4-oxidanylidene-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoate Openeye Name: tert-butyl 4-[[7-chloro-2-[(4-ethylpiperazin-1-yl)methyl]-3-methyl-4-oxo-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoate CAS Name: 4-[[7-chloro-2-[(4-ethyl-1-piperazinyl)methyl]-3-methyl-4-oxo-6-quinazolinyl]methyl-prop-2-ynylamino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[7-chloro-2-[(4-ethylpiperazin-1-yl)methyl]-3-methyl-4-oxoquinazolin-6-yl]methyl-prop-2-ynylamino]benzoate Traditional Name: 4-[[7-chloro-2-[(4-ethylpiperazino)methyl]-4-keto-3-methyl-quinazolin-6-yl]methyl-propargyl-amino]benzoic acid tert-butyl ester Formula: C31H38ClN5O3 MolecularWeight: 564.11812

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=NC3=CC(=C(C=C3C(=O)N2C)CN(CC#C)C4=CC=C(C=C4)C(=O)OC(C)(C)C)Cl

Isomeric SMILES

CCN1CCN(CC1)CC2=NC3=CC(=C(C=C3C(=O)N2C)CN(CC#C)C4=CC=C(C=C4)C(=O)OC(C)(C)C)Cl

InChI

InChI=1S/C31H38ClN5O3/c1-7-13-37(24-11-9-22(10-12-24)30(39)40-31(3,4)5)20-23-18-25-27(19-26(23)32)33-28(34(6)29(25)38)21-36-16-14-35(8-2)15-17-36/h1,9-12,18-19H,8,13-17,20-21H2,2-6H3