2-[(3-ethynylphenyl)amino]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-[(3-ethynylphenyl)amino]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(3-ethynylanilino)propan-1-one CAS Name: 2-(3-ethynylanilino)-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(3-ethynylanilino)propan-1-one Traditional Name: 1-(4-benzylpiperazino)-2-(3-ethynylanilino)propan-1-one Formula: C22H25N3O MolecularWeight: 347.4534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)NC3=CC=CC(=C3)C#C

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)NC3=CC=CC(=C3)C#C

InChI

InChI=1S/C22H25N3O/c1-3-19-10-7-11-21(16-19)23-18(2)22(26)25-14-12-24(13-15-25)17-20-8-5-4-6-9-20/h1,4-11,16,18,23H,12-15,17H2,2H3