[6-[4-[(E)-3-naphthalen-2-ylprop-2-enoyl]piperazin-1-yl]pyridin-3-yl]boronic acid

Systemtic Name: [6-[4-[(E)-3-naphthalen-2-ylprop-2-enoyl]piperazin-1-yl]pyridin-3-yl]boronic acid Openeye Name: [6-[4-[(E)-3-(2-naphthyl)prop-2-enoyl]piperazin-1-yl]-3-pyridyl]boronic acid CAS Name: [6-[4-[(E)-3-(2-naphthalenyl)-1-oxoprop-2-enyl]-1-piperazinyl]-3-pyridinyl]boronic acid IUPAC Name: [6-[4-[(E)-3-naphthalen-2-ylprop-2-enoyl]piperazin-1-yl]pyridin-3-yl]boronic acid Traditional Name: [6-[4-[(E)-3-(2-naphthyl)acryloyl]piperazino]-3-pyridyl]boronic acid Formula: C22H22BN3O3 MolecularWeight: 387.23938

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CN=C(C=C1)N2CCN(CC2)C(=O)C=CC3=CC4=CC=CC=C4C=C3)(O)O

Isomeric SMILES

B(C1=CN=C(C=C1)N2CCN(CC2)C(=O)/C=C/C3=CC4=CC=CC=C4C=C3)(O)O

InChI

InChI=1S/C22H22BN3O3/c27-22(10-6-17-5-7-18-3-1-2-4-19(18)15-17)26-13-11-25(12-14-26)21-9-8-20(16-24-21)23(28)29/h1-10,15-16,28-29H,11-14H2/b10-6+