2-[4-(phenylmethyl)piperazin-1-yl]ethyl (E)-3-pyridin-3-ylprop-2-enoate

Systemtic Name: 2-[4-(phenylmethyl)piperazin-1-yl]ethyl (E)-3-pyridin-3-ylprop-2-enoate Openeye Name: 2-(4-benzylpiperazin-1-yl)ethyl (E)-3-(3-pyridyl)prop-2-enoate CAS Name: (E)-3-(3-pyridinyl)-2-propenoic acid 2-[4-(phenylmethyl)-1-piperazinyl]ethyl ester IUPAC Name: 2-(4-benzylpiperazin-1-yl)ethyl (E)-3-pyridin-3-ylprop-2-enoate Traditional Name: (E)-3-(3-pyridyl)acrylic acid 2-(4-benzylpiperazino)ethyl ester Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC(=O)C=CC2=CN=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CCOC(=O)/C=C/C2=CN=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2/c25-21(9-8-19-7-4-10-22-17-19)26-16-15-23-11-13-24(14-12-23)18-20-5-2-1-3-6-20/h1-10,17H,11-16,18H2/b9-8+