(3S)-1-(1-but-3-enoylpiperidin-4-yl)-N-(phenylmethyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(1-but-3-enoylpiperidin-4-yl)-N-(phenylmethyl)piperidine-3-carboxamide Openeye Name: (3S)-N-benzyl-1-(1-but-3-enoyl-4-piperidyl)piperidine-3-carboxamide CAS Name: (3S)-1-[1-(1-oxobut-3-enyl)-4-piperidinyl]-N-(phenylmethyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-benzyl-1-(1-but-3-enoylpiperidin-4-yl)piperidine-3-carboxamide Traditional Name: (3S)-N-benzyl-1-(1-but-3-enoyl-4-piperidyl)nipecotamide Formula: C22H31N3O2 MolecularWeight: 369.50044

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(=O)N1CCC(CC1)N2CCCC(C2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

C=CCC(=O)N1CCC(CC1)N2CCC[C@@H](C2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H31N3O2/c1-2-7-21(26)24-14-11-20(12-15-24)25-13-6-10-19(17-25)22(27)23-16-18-8-4-3-5-9-18/h2-5,8-9,19-20H,1,6-7,10-17H2,(H,23,27)/t19-/m0/s1