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

Systemtic Name: 2-[4-[2-[(4-butylphenyl)-methyl-amino]ethanoyl]-2-methyl-piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-[2-(4-butyl-N-methyl-anilino)acetyl]-2-methyl-piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-[2-(4-butyl-N-methylanilino)-1-oxoethyl]-2-methyl-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-[2-(4-butyl-N-methylanilino)acetyl]-2-methylpiperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-[2-(4-butyl-N-methyl-anilino)acetyl]-2-methyl-piperazino]nicotinonitrile Formula: C24H31N5O MolecularWeight: 405.53584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N(C)CC(=O)N2CCN(C(C2)C)C3=C(C=CC=N3)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)N(C)CC(=O)N2CCN(C(C2)C)C3=C(C=CC=N3)C#N

InChI

InChI=1S/C24H31N5O/c1-4-5-7-20-9-11-22(12-10-20)27(3)18-23(30)28-14-15-29(19(2)17-28)24-21(16-25)8-6-13-26-24/h6,8-13,19H,4-5,7,14-15,17-18H2,1-3H3