N-[[4-[6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]methyl]piperidine-4-carboxamide

Systemtic Name: N-[[4-[6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]methyl]piperidine-4-carboxamide Openeye Name: N-[[4-[6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]methyl]piperidine-4-carboxamide CAS Name: N-[[4-[6-(1-phenylbutylamino)-2-pyrazinyl]phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-[[4-[6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]methyl]piperidine-4-carboxamide Traditional Name: N-[4-[6-(1-phenylbutylamino)pyrazin-2-yl]benzyl]isonipecotamide Formula: C27H33N5O MolecularWeight: 443.58382

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC2=NC(=CN=C2)C3=CC=C(C=C3)CNC(=O)C4CCNCC4

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC2=NC(=CN=C2)C3=CC=C(C=C3)CNC(=O)C4CCNCC4

InChI

InChI=1S/C27H33N5O/c1-2-6-24(21-7-4-3-5-8-21)31-26-19-29-18-25(32-26)22-11-9-20(10-12-22)17-30-27(33)23-13-15-28-16-14-23/h3-5,7-12,18-19,23-24,28H,2,6,13-17H2,1H3,(H,30,33)(H,31,32)