1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-4-(3-cyanopyrazin-2-yl)piperazine-2-carboxylic acid

Systemtic Name: 1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-4-(3-cyanopyrazin-2-yl)piperazine-2-carboxylic acid Openeye Name: 1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-4-(3-cyanopyrazin-2-yl)piperazine-2-carboxylic acid CAS Name: 1-[(E)-3-(3-chlorophenyl)-1-oxoprop-2-enyl]-4-(3-cyano-2-pyrazinyl)-2-piperazinecarboxylic acid IUPAC Name: 1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-4-(3-cyanopyrazin-2-yl)piperazine-2-carboxylic acid Traditional Name: 1-[(E)-3-(3-chlorophenyl)acryloyl]-4-(3-cyanopyrazin-2-yl)piperazine-2-carboxylic acid Formula: C19H16ClN5O3 MolecularWeight: 397.81504

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C2=NC=CN=C2C#N)C(=O)O)C(=O)C=CC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(C(CN1C2=NC=CN=C2C#N)C(=O)O)C(=O)/C=C/C3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H16ClN5O3/c20-14-3-1-2-13(10-14)4-5-17(26)25-9-8-24(12-16(25)19(27)28)18-15(11-21)22-6-7-23-18/h1-7,10,16H,8-9,12H2,(H,27,28)/b5-4+