N-[[4-[6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]methyl]piperidine-3-carboxamide

Systemtic Name: N-[[4-[6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]methyl]piperidine-3-carboxamide Openeye Name: N-[[4-[6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]methyl]piperidine-3-carboxamide CAS Name: N-[[4-[6-(1-phenylbutylamino)-2-pyrazinyl]phenyl]methyl]-3-piperidinecarboxamide IUPAC Name: N-[[4-[6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]methyl]piperidine-3-carboxamide Traditional Name: N-[4-[6-(1-phenylbutylamino)pyrazin-2-yl]benzyl]nipecotamide 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)C4CCCNC4

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC2=NC(=CN=C2)C3=CC=C(C=C3)CNC(=O)C4CCCNC4

InChI

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