1-[4-(diphenylmethyl)piperazin-1-yl]-3-[prop-2-enoyl(pyridin-3-yl)amino]propan-1-olate

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-1-yl]-3-[prop-2-enoyl(pyridin-3-yl)amino]propan-1-olate Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-3-[prop-2-enoyl(3-pyridyl)amino]propan-1-olate CAS Name: 1-[4-(diphenylmethyl)-1-piperazinyl]-3-[1-oxoprop-2-enyl(3-pyridinyl)amino]-1-propanolate IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-3-[prop-2-enoyl(pyridin-3-yl)amino]propan-1-olate Traditional Name: 3-[acryloyl(3-pyridyl)amino]-1-(4-benzhydrylpiperazino)propan-1-olate Formula: C28H31N4O2- MolecularWeight: 455.57134

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)N(CCC(N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)[O-])C4=CN=CC=C4

Isomeric SMILES

C=CC(=O)N(CCC(N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)[O-])C4=CN=CC=C4

InChI

InChI=1S/C28H31N4O2/c1-2-26(33)32(25-14-9-16-29-22-25)17-15-27(34)30-18-20-31(21-19-30)28(23-10-5-3-6-11-23)24-12-7-4-8-13-24/h2-14,16,22,27-28H,1,15,17-21H2/q-1