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

Systemtic Name: 4-[[7-chloranyl-3-methyl-4-oxidanylidene-2-[(4-oxidanylpiperidin-1-yl)methyl]quinazolin-6-yl]methyl-prop-2-ynyl-amino]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 4-[[7-chloro-2-[(4-hydroxy-1-piperidyl)methyl]-3-methyl-4-oxo-quinazolin-6-yl]methyl-prop-2-ynyl-amino]-N-(3-pyridylmethyl)benzamide CAS Name: 4-[[7-chloro-2-[(4-hydroxy-1-piperidinyl)methyl]-3-methyl-4-oxo-6-quinazolinyl]methyl-prop-2-ynylamino]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 4-[[7-chloro-2-[(4-hydroxypiperidin-1-yl)methyl]-3-methyl-4-oxoquinazolin-6-yl]methyl-prop-2-ynylamino]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 4-[[7-chloro-2-[(4-hydroxypiperidino)methyl]-4-keto-3-methyl-quinazolin-6-yl]methyl-propargyl-amino]-N-(3-pyridylmethyl)benzamide Formula: C32H33ClN6O3 MolecularWeight: 585.09582

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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)CN5CCC(CC5)O

Isomeric SMILES

CN1C(=NC2=CC(=C(C=C2C1=O)CN(CC#C)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4)Cl)CN5CCC(CC5)O

InChI

InChI=1S/C32H33ClN6O3/c1-3-13-39(25-8-6-23(7-9-25)31(41)35-19-22-5-4-12-34-18-22)20-24-16-27-29(17-28(24)33)36-30(37(2)32(27)42)21-38-14-10-26(40)11-15-38/h1,4-9,12,16-18,26,40H,10-11,13-15,19-21H2,2H3,(H,35,41)