7-[4-[4-(phenylmethyl)piperidin-1-yl]but-1-ynyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 7-[4-[4-(phenylmethyl)piperidin-1-yl]but-1-ynyl]-4H-1,4-benzoxazin-3-one Openeye Name: 7-[4-(4-benzyl-1-piperidyl)but-1-ynyl]-4H-1,4-benzoxazin-3-one CAS Name: 7-[4-[4-(phenylmethyl)-1-piperidinyl]but-1-ynyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 7-[4-(4-benzylpiperidin-1-yl)but-1-ynyl]-4H-1,4-benzoxazin-3-one Traditional Name: 7-[4-(4-benzylpiperidino)but-1-ynyl]-4H-1,4-benzoxazin-3-one Formula: C24H26N2O2 MolecularWeight: 374.47544

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CCC#CC3=CC4=C(C=C3)NC(=O)CO4

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CCC#CC3=CC4=C(C=C3)NC(=O)CO4

InChI

InChI=1S/C24H26N2O2/c27-24-18-28-23-17-20(9-10-22(23)25-24)8-4-5-13-26-14-11-21(12-15-26)16-19-6-2-1-3-7-19/h1-3,6-7,9-10,17,21H,5,11-16,18H2,(H,25,27)