N-pentyl-1-[4-[(prop-2-enoylamino)methyl]phenyl]carbonyl-piperidine-4-carboxamide

Systemtic Name: N-pentyl-1-[4-[(prop-2-enoylamino)methyl]phenyl]carbonyl-piperidine-4-carboxamide Openeye Name: N-pentyl-1-[4-[(prop-2-enoylamino)methyl]benzoyl]piperidine-4-carboxamide CAS Name: 1-[oxo-[4-[(1-oxoprop-2-enylamino)methyl]phenyl]methyl]-N-pentyl-4-piperidinecarboxamide IUPAC Name: N-pentyl-1-[4-[(prop-2-enoylamino)methyl]benzoyl]piperidine-4-carboxamide Traditional Name: 1-[4-(acrylamidomethyl)benzoyl]-N-amyl-isonipecotamide Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)CNC(=O)C=C

Isomeric SMILES

CCCCCNC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)CNC(=O)C=C

InChI

InChI=1S/C22H31N3O3/c1-3-5-6-13-23-21(27)18-11-14-25(15-12-18)22(28)19-9-7-17(8-10-19)16-24-20(26)4-2/h4,7-10,18H,2-3,5-6,11-16H2,1H3,(H,23,27)(H,24,26)