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

Systemtic Name: 2-[4-[2-[(4-butylphenyl)-methyl-amino]ethanoyl]piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-[2-(4-butyl-N-methyl-anilino)acetyl]piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-[2-(4-butyl-N-methylanilino)-1-oxoethyl]-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-[2-(4-butyl-N-methylanilino)acetyl]piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-[2-(4-butyl-N-methyl-anilino)acetyl]piperazino]nicotinonitrile Formula: C23H29N5O MolecularWeight: 391.50926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O/c1-3-4-6-19-8-10-21(11-9-19)26(2)18-22(29)27-13-15-28(16-14-27)23-20(17-24)7-5-12-25-23/h5,7-12H,3-4,6,13-16,18H2,1-2H3