[2-(azocan-1-yl)-2-oxidanylidene-ethyl] (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)acrylic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)COC(=O)C=CC2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CCC1)C(=O)COC(=O)/C=C/C2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3/c26-21(24-13-7-2-1-3-8-14-24)18-28-22(27)12-11-20-15-23-25(17-20)16-19-9-5-4-6-10-19/h4-6,9-12,15,17H,1-3,7-8,13-14,16,18H2/b12-11+