4-[[7-chloranyl-3-methyl-4-oxidanylidene-2-(pyrrolidin-1-ylmethyl)quinazolin-6-yl]methyl-prop-2-ynyl-amino]-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 4-[[7-chloranyl-3-methyl-4-oxidanylidene-2-(pyrrolidin-1-ylmethyl)quinazolin-6-yl]methyl-prop-2-ynyl-amino]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 4-[[7-chloro-3-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)quinazolin-6-yl]methyl-prop-2-ynyl-amino]-N-(3-pyridylmethyl)benzamide CAS Name: 4-[[7-chloro-3-methyl-4-oxo-2-(1-pyrrolidinylmethyl)-6-quinazolinyl]methyl-prop-2-ynylamino]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 4-[[7-chloro-3-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)quinazolin-6-yl]methyl-prop-2-ynylamino]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 4-[[7-chloro-4-keto-3-methyl-2-(pyrrolidinomethyl)quinazolin-6-yl]methyl-propargyl-amino]-N-(3-pyridylmethyl)benzamide Formula: C31H31ClN6O2 MolecularWeight: 555.06984

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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)CN5CCCC5

Isomeric SMILES

CN1C(=NC2=CC(=C(C=C2C1=O)CN(CC#C)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4)Cl)CN5CCCC5

InChI

InChI=1S/C31H31ClN6O2/c1-3-13-38(25-10-8-23(9-11-25)30(39)34-19-22-7-6-12-33-18-22)20-24-16-26-28(17-27(24)32)35-29(36(2)31(26)40)21-37-14-4-5-15-37/h1,6-12,16-18H,4-5,13-15,19-21H2,2H3,(H,34,39)