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

Systemtic Name: 4-[[7-chloranyl-4-oxidanylidene-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-2-(piperidin-1-ylmethyl)quinazolin-6-yl]methyl-prop-2-ynyl-amino]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 4-[[7-chloro-4-oxo-3-[2-oxo-2-(1-piperidyl)ethyl]-2-(1-piperidylmethyl)quinazolin-6-yl]methyl-prop-2-ynyl-amino]-N-(3-pyridylmethyl)benzamide CAS Name: 4-[[7-chloro-4-oxo-3-[2-oxo-2-(1-piperidinyl)ethyl]-2-(1-piperidinylmethyl)-6-quinazolinyl]methyl-prop-2-ynylamino]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 4-[[7-chloro-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-2-(piperidin-1-ylmethyl)quinazolin-6-yl]methyl-prop-2-ynylamino]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 4-[[7-chloro-4-keto-3-(2-keto-2-piperidino-ethyl)-2-(piperidinomethyl)quinazolin-6-yl]methyl-propargyl-amino]-N-(3-pyridylmethyl)benzamide Formula: C38H42ClN7O3 MolecularWeight: 680.23818

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN(CC1=C(C=C2C(=C1)C(=O)N(C(=N2)CN3CCCCC3)CC(=O)N4CCCCC4)Cl)C5=CC=C(C=C5)C(=O)NCC6=CN=CC=C6

Isomeric SMILES

C#CCN(CC1=C(C=C2C(=C1)C(=O)N(C(=N2)CN3CCCCC3)CC(=O)N4CCCCC4)Cl)C5=CC=C(C=C5)C(=O)NCC6=CN=CC=C6

InChI

InChI=1S/C38H42ClN7O3/c1-2-16-45(31-13-11-29(12-14-31)37(48)41-24-28-10-9-15-40-23-28)25-30-21-32-34(22-33(30)39)42-35(26-43-17-5-3-6-18-43)46(38(32)49)27-36(47)44-19-7-4-8-20-44/h1,9-15,21-23H,3-8,16-20,24-27H2,(H,41,48)