N-[[4-[ethyl-(phenylmethyl)amino]quinazolin-2-yl]methyl]-3-(3-methyl-3-oxidanyl-but-1-ynyl)benzamide

Systemtic Name: N-[[4-[ethyl-(phenylmethyl)amino]quinazolin-2-yl]methyl]-3-(3-methyl-3-oxidanyl-but-1-ynyl)benzamide Openeye Name: N-[[4-[benzyl(ethyl)amino]quinazolin-2-yl]methyl]-3-(3-hydroxy-3-methyl-but-1-ynyl)benzamide CAS Name: N-[[4-[ethyl-(phenylmethyl)amino]-2-quinazolinyl]methyl]-3-(3-hydroxy-3-methylbut-1-ynyl)benzamide IUPAC Name: N-[[4-[benzyl(ethyl)amino]quinazolin-2-yl]methyl]-3-(3-hydroxy-3-methylbut-1-ynyl)benzamide Traditional Name: N-[[4-[benzyl(ethyl)amino]quinazolin-2-yl]methyl]-3-(3-hydroxy-3-methyl-but-1-ynyl)benzamide Formula: C30H30N4O2 MolecularWeight: 478.5848

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C2=NC(=NC3=CC=CC=C32)CNC(=O)C4=CC=CC(=C4)C#CC(C)(C)O

Isomeric SMILES

CCN(CC1=CC=CC=C1)C2=NC(=NC3=CC=CC=C32)CNC(=O)C4=CC=CC(=C4)C#CC(C)(C)O

InChI

InChI=1S/C30H30N4O2/c1-4-34(21-23-11-6-5-7-12-23)28-25-15-8-9-16-26(25)32-27(33-28)20-31-29(35)24-14-10-13-22(19-24)17-18-30(2,3)36/h5-16,19,36H,4,20-21H2,1-3H3,(H,31,35)