4-(2-cyanoethanoylamino)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-yl-ethyl]benzamide

Systemtic Name: 4-(2-cyanoethanoylamino)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-yl-ethyl]benzamide Openeye Name: 4-[(2-cyanoacetyl)amino]-N-[(2S)-2-(2-furyl)-2-(1-piperidyl)ethyl]benzamide CAS Name: 4-[(2-cyano-1-oxoethyl)amino]-N-[(2S)-2-(2-furanyl)-2-(1-piperidinyl)ethyl]benzamide IUPAC Name: 4-[(2-cyanoacetyl)amino]-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide Traditional Name: 4-[(2-cyanoacetyl)amino]-N-[(2S)-2-(2-furyl)-2-piperidino-ethyl]benzamide Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(CNC(=O)C2=CC=C(C=C2)NC(=O)CC#N)C3=CC=CO3

Isomeric SMILES

C1CCN(CC1)[C@@H](CNC(=O)C2=CC=C(C=C2)NC(=O)CC#N)C3=CC=CO3

InChI

InChI=1S/C21H24N4O3/c22-11-10-20(26)24-17-8-6-16(7-9-17)21(27)23-15-18(19-5-4-14-28-19)25-12-2-1-3-13-25/h4-9,14,18H,1-3,10,12-13,15H2,(H,23,27)(H,24,26)/t18-/m0/s1