(3S)-N-phenethyl-1-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]piperidine-3-carboxamide

Systemtic Name: (3S)-N-phenethyl-1-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]piperidine-3-carboxamide Openeye Name: (3S)-1-[1-(allylcarbamoyl)-4-piperidyl]-N-phenethyl-piperidine-3-carboxamide CAS Name: (3S)-1-[1-[oxo-(prop-2-enylamino)methyl]-4-piperidinyl]-N-phenethyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-phenethyl-1-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]piperidine-3-carboxamide Traditional Name: (3S)-1-[1-(allylcarbamoyl)-4-piperidyl]-N-phenethyl-nipecotamide Formula: C23H34N4O2 MolecularWeight: 398.54166

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)N1CCC(CC1)N2CCCC(C2)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C=CCNC(=O)N1CCC(CC1)N2CCC[C@@H](C2)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C23H34N4O2/c1-2-13-25-23(29)26-16-11-21(12-17-26)27-15-6-9-20(18-27)22(28)24-14-10-19-7-4-3-5-8-19/h2-5,7-8,20-21H,1,6,9-18H2,(H,24,28)(H,25,29)/t20-/m0/s1