3-[4-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-(hydroxymethyl)piperazin-1-yl]pyrazine-2-carbonitrile

Systemtic Name: 3-[4-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-(hydroxymethyl)piperazin-1-yl]pyrazine-2-carbonitrile Openeye Name: 3-[4-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-(hydroxymethyl)piperazin-1-yl]pyrazine-2-carbonitrile CAS Name: 3-[4-[(E)-3-(3-chlorophenyl)-1-oxoprop-2-enyl]-3-(hydroxymethyl)-1-piperazinyl]-2-pyrazinecarbonitrile IUPAC Name: 3-[4-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-(hydroxymethyl)piperazin-1-yl]pyrazine-2-carbonitrile Traditional Name: 3-[4-[(E)-3-(3-chlorophenyl)acryloyl]-3-methylol-piperazino]pyrazinonitrile Formula: C19H18ClN5O2 MolecularWeight: 383.83152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN5O2/c20-15-3-1-2-14(10-15)4-5-18(27)25-9-8-24(12-16(25)13-26)19-17(11-21)22-6-7-23-19/h1-7,10,16,26H,8-9,12-13H2/b5-4+