[4-(diphenylmethyl)piperazin-1-yl]-[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-1-yl]-[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methanone Openeye Name: (4-benzhydrylpiperazin-1-yl)-[4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]methanone CAS Name: [4-(diphenylmethyl)-1-piperazinyl]-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone IUPAC Name: (4-benzhydrylpiperazin-1-yl)-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone Traditional Name: (4-benzhydrylpiperazino)-[4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]methanone Formula: C29H30N2O2 MolecularWeight: 438.5607

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C29H30N2O2/c1-29(2,33)18-17-23-13-15-26(16-14-23)28(32)31-21-19-30(20-22-31)27(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-16,27,33H,19-22H2,1-2H3