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

Systemtic Name: 4-[[7-chloranyl-4-oxidanylidene-3-(2-oxidanylidene-2-piperidin-3-yl-ethyl)-2-(piperazin-1-ylmethyl)quinazolin-6-yl]-(prop-2-ynylamino)methyl]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 4-[[7-chloro-4-oxo-3-[2-oxo-2-(3-piperidyl)ethyl]-2-(piperazin-1-ylmethyl)quinazolin-6-yl]-(prop-2-ynylamino)methyl]-N-(3-pyridylmethyl)benzamide CAS Name: 4-[[7-chloro-4-oxo-3-[2-oxo-2-(3-piperidinyl)ethyl]-2-(1-piperazinylmethyl)-6-quinazolinyl]-(prop-2-ynylamino)methyl]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 4-[[7-chloro-4-oxo-3-(2-oxo-2-piperidin-3-ylethyl)-2-(piperazin-1-ylmethyl)quinazolin-6-yl]-(prop-2-ynylamino)methyl]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 4-[[7-chloro-4-keto-3-[2-keto-2-(3-piperidyl)ethyl]-2-(piperazinomethyl)quinazolin-6-yl]-(propargylamino)methyl]-N-(3-pyridylmethyl)benzamide Formula: C37H41ClN8O3 MolecularWeight: 681.22624

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(C1=CC=C(C=C1)C(=O)NCC2=CN=CC=C2)C3=C(C=C4C(=C3)C(=O)N(C(=N4)CN5CCNCC5)CC(=O)C6CCCNC6)Cl

Isomeric SMILES

C#CCNC(C1=CC=C(C=C1)C(=O)NCC2=CN=CC=C2)C3=C(C=C4C(=C3)C(=O)N(C(=N4)CN5CCNCC5)CC(=O)C6CCCNC6)Cl

InChI

InChI=1S/C37H41ClN8O3/c1-2-11-42-35(26-7-9-27(10-8-26)36(48)43-21-25-5-3-12-40-20-25)29-18-30-32(19-31(29)38)44-34(24-45-16-14-39-15-17-45)46(37(30)49)23-33(47)28-6-4-13-41-22-28/h1,3,5,7-10,12,18-20,28,35,39,41-42H,4,6,11,13-17,21-24H2,(H,43,48)