4-[[7-chloranyl-3-methyl-4-oxidanylidene-2-(piperidin-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-(piperidin-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-(1-piperidylmethyl)quinazolin-6-yl]methyl-prop-2-ynyl-amino]-N-(3-pyridylmethyl)benzamide CAS Name: 4-[[7-chloro-3-methyl-4-oxo-2-(1-piperidinylmethyl)-6-quinazolinyl]methyl-prop-2-ynylamino]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 4-[[7-chloro-3-methyl-4-oxo-2-(piperidin-1-ylmethyl)quinazolin-6-yl]methyl-prop-2-ynylamino]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 4-[[7-chloro-4-keto-3-methyl-2-(piperidinomethyl)quinazolin-6-yl]methyl-propargyl-amino]-N-(3-pyridylmethyl)benzamide Formula: C32H33ClN6O2 MolecularWeight: 569.09642

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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)CN5CCCCC5

Isomeric SMILES

CN1C(=NC2=CC(=C(C=C2C1=O)CN(CC#C)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4)Cl)CN5CCCCC5

InChI

InChI=1S/C32H33ClN6O2/c1-3-14-39(26-11-9-24(10-12-26)31(40)35-20-23-8-7-13-34-19-23)21-25-17-27-29(18-28(25)33)36-30(37(2)32(27)41)22-38-15-5-4-6-16-38/h1,7-13,17-19H,4-6,14-16,20-22H2,2H3,(H,35,40)