N-[(6-chloranyl-4-pyrrolidin-1-yl-quinazolin-2-yl)methyl]-3-(3-methyl-3-oxidanyl-but-1-ynyl)benzamide

Systemtic Name: N-[(6-chloranyl-4-pyrrolidin-1-yl-quinazolin-2-yl)methyl]-3-(3-methyl-3-oxidanyl-but-1-ynyl)benzamide Openeye Name: N-[(6-chloro-4-pyrrolidin-1-yl-quinazolin-2-yl)methyl]-3-(3-hydroxy-3-methyl-but-1-ynyl)benzamide CAS Name: N-[[6-chloro-4-(1-pyrrolidinyl)-2-quinazolinyl]methyl]-3-(3-hydroxy-3-methylbut-1-ynyl)benzamide IUPAC Name: N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-3-(3-hydroxy-3-methylbut-1-ynyl)benzamide Traditional Name: N-[(6-chloro-4-pyrrolidino-quinazolin-2-yl)methyl]-3-(3-hydroxy-3-methyl-but-1-ynyl)benzamide Formula: C25H25ClN4O2 MolecularWeight: 448.9446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC(=CC=C1)C(=O)NCC2=NC3=C(C=C(C=C3)Cl)C(=N2)N4CCCC4)O

Isomeric SMILES

CC(C)(C#CC1=CC(=CC=C1)C(=O)NCC2=NC3=C(C=C(C=C3)Cl)C(=N2)N4CCCC4)O

InChI

InChI=1S/C25H25ClN4O2/c1-25(2,32)11-10-17-6-5-7-18(14-17)24(31)27-16-22-28-21-9-8-19(26)15-20(21)23(29-22)30-12-3-4-13-30/h5-9,14-15,32H,3-4,12-13,16H2,1-2H3,(H,27,31)