3-[4-[2-[(4-butylphenyl)-methyl-amino]ethanoyl]piperazin-1-yl]pyrazine-2-carbonitrile

Systemtic Name: 3-[4-[2-[(4-butylphenyl)-methyl-amino]ethanoyl]piperazin-1-yl]pyrazine-2-carbonitrile Openeye Name: 3-[4-[2-(4-butyl-N-methyl-anilino)acetyl]piperazin-1-yl]pyrazine-2-carbonitrile CAS Name: 3-[4-[2-(4-butyl-N-methylanilino)-1-oxoethyl]-1-piperazinyl]-2-pyrazinecarbonitrile IUPAC Name: 3-[4-[2-(4-butyl-N-methylanilino)acetyl]piperazin-1-yl]pyrazine-2-carbonitrile Traditional Name: 3-[4-[2-(4-butyl-N-methyl-anilino)acetyl]piperazino]pyrazinonitrile Formula: C22H28N6O MolecularWeight: 392.49732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N(C)CC(=O)N2CCN(CC2)C3=NC=CN=C3C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)N(C)CC(=O)N2CCN(CC2)C3=NC=CN=C3C#N

InChI

InChI=1S/C22H28N6O/c1-3-4-5-18-6-8-19(9-7-18)26(2)17-21(29)27-12-14-28(15-13-27)22-20(16-23)24-10-11-25-22/h6-11H,3-5,12-15,17H2,1-2H3