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

Systemtic Name: 2-[4-[2-[(4-butylphenyl)amino]ethanoyl]piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-[2-(4-butylanilino)acetyl]piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-[2-(4-butylanilino)-1-oxoethyl]-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-[2-(4-butylanilino)acetyl]piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-[2-(4-butylanilino)acetyl]piperazino]nicotinonitrile Formula: C22H27N5O MolecularWeight: 377.48268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NCC(=O)N2CCN(CC2)C3=C(C=CC=N3)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NCC(=O)N2CCN(CC2)C3=C(C=CC=N3)C#N

InChI

InChI=1S/C22H27N5O/c1-2-3-5-18-7-9-20(10-8-18)25-17-21(28)26-12-14-27(15-13-26)22-19(16-23)6-4-11-24-22/h4,6-11,25H,2-3,5,12-15,17H2,1H3