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

Systemtic Name: tert-butyl 4-[[7-chloranyl-2-[(2-ethylpyrrolidin-1-yl)methyl]-3-methyl-4-oxidanylidene-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoate Openeye Name: tert-butyl 4-[[7-chloro-2-[(2-ethylpyrrolidin-1-yl)methyl]-3-methyl-4-oxo-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoate CAS Name: 4-[[7-chloro-2-[(2-ethyl-1-pyrrolidinyl)methyl]-3-methyl-4-oxo-6-quinazolinyl]methyl-prop-2-ynylamino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[7-chloro-2-[(2-ethylpyrrolidin-1-yl)methyl]-3-methyl-4-oxoquinazolin-6-yl]methyl-prop-2-ynylamino]benzoate Traditional Name: 4-[[7-chloro-2-[(2-ethylpyrrolidino)methyl]-4-keto-3-methyl-quinazolin-6-yl]methyl-propargyl-amino]benzoic acid tert-butyl ester Formula: C31H37ClN4O3 MolecularWeight: 549.10348

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCN1CC2=NC3=CC(=C(C=C3C(=O)N2C)CN(CC#C)C4=CC=C(C=C4)C(=O)OC(C)(C)C)Cl

Isomeric SMILES

CCC1CCCN1CC2=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/C31H37ClN4O3/c1-7-15-35(24-13-11-21(12-14-24)30(38)39-31(3,4)5)19-22-17-25-27(18-26(22)32)33-28(34(6)29(25)37)20-36-16-9-10-23(36)8-2/h1,11-14,17-18,23H,8-10,15-16,19-20H2,2-6H3