4-[[7-chloranyl-3-methyl-2-(morpholin-4-ylmethyl)-4-oxidanylidene-quinazolin-6-yl]methyl-prop-2-ynyl-amino]-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 4-[[7-chloranyl-3-methyl-2-(morpholin-4-ylmethyl)-4-oxidanylidene-quinazolin-6-yl]methyl-prop-2-ynyl-amino]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 4-[[7-chloro-3-methyl-2-(morpholinomethyl)-4-oxo-quinazolin-6-yl]methyl-prop-2-ynyl-amino]-N-(3-pyridylmethyl)benzamide CAS Name: 4-[[7-chloro-3-methyl-2-(4-morpholinylmethyl)-4-oxo-6-quinazolinyl]methyl-prop-2-ynylamino]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 4-[[7-chloro-3-methyl-2-(morpholin-4-ylmethyl)-4-oxoquinazolin-6-yl]methyl-prop-2-ynylamino]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 4-[[7-chloro-4-keto-3-methyl-2-(morpholinomethyl)quinazolin-6-yl]methyl-propargyl-amino]-N-(3-pyridylmethyl)benzamide Formula: C31H31ClN6O3 MolecularWeight: 571.06924

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CC(=C(C=C2C1=O)CN(CC#C)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4)Cl)CN5CCOCC5

Isomeric SMILES

CN1C(=NC2=CC(=C(C=C2C1=O)CN(CC#C)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4)Cl)CN5CCOCC5

InChI

InChI=1S/C31H31ClN6O3/c1-3-11-38(25-8-6-23(7-9-25)30(39)34-19-22-5-4-10-33-18-22)20-24-16-26-28(17-27(24)32)35-29(36(2)31(26)40)21-37-12-14-41-15-13-37/h1,4-10,16-18H,11-15,19-21H2,2H3,(H,34,39)