4-[(4-methoxyphenyl)methyl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]amino]oxybut-1-en-1-one

Systemtic Name: 4-[(4-methoxyphenyl)methyl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]amino]oxybut-1-en-1-one Openeye Name: 4-[(4-methoxyphenyl)methyl-[4-(3-pyridylmethyl)piperazin-1-yl]amino]oxybut-1-en-1-one CAS Name: 4-[(4-methoxyphenyl)methyl-[4-(3-pyridinylmethyl)-1-piperazinyl]amino]oxy-1-buten-1-one IUPAC Name: 4-[(4-methoxyphenyl)methyl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]amino]oxybut-1-en-1-one Traditional Name: 4-[p-anisyl-[4-(3-pyridylmethyl)piperazino]amino]oxybut-1-en-1-one Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(N2CCN(CC2)CC3=CN=CC=C3)OCCC=C=O

Isomeric SMILES

COC1=CC=C(C=C1)CN(N2CCN(CC2)CC3=CN=CC=C3)OCCC=C=O

InChI

InChI=1S/C22H28N4O3/c1-28-22-8-6-20(7-9-22)19-26(29-16-3-2-15-27)25-13-11-24(12-14-25)18-21-5-4-10-23-17-21/h2,4-10,17H,3,11-14,16,18-19H2,1H3