N-[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-pyridyl)ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(2S)-2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(2S)-2-[4-(2-methoxyphenyl)piperazino]-2-(3-pyridyl)ethyl]-piperonylamide Formula: C26H28N4O4 MolecularWeight: 460.52492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(CNC(=O)C3=CC4=C(C=C3)OCO4)C5=CN=CC=C5

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)[C@H](CNC(=O)C3=CC4=C(C=C3)OCO4)C5=CN=CC=C5

InChI

InChI=1S/C26H28N4O4/c1-32-23-7-3-2-6-21(23)29-11-13-30(14-12-29)22(20-5-4-10-27-16-20)17-28-26(31)19-8-9-24-25(15-19)34-18-33-24/h2-10,15-16,22H,11-14,17-18H2,1H3,(H,28,31)/t22-/m1/s1