N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]-2-[(3S)-3-oxidanylpiperidin-1-yl]ethanamide

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]-2-[(3S)-3-oxidanylpiperidin-1-yl]ethanamide Openeye Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-[(3S)-3-hydroxy-1-piperidyl]acetamide CAS Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)-2-pyrrolyl]-2-[(3S)-3-hydroxy-1-piperidinyl]acetamide IUPAC Name: N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide Traditional Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-[(3S)-3-hydroxypiperidino]acetamide Formula: C21H26N4O2 MolecularWeight: 366.45674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CN2CCCC(C2)O)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CN2CCC[C@@H](C2)O)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H26N4O2/c1-15-16(2)25(12-17-7-4-3-5-8-17)21(19(15)11-22)23-20(27)14-24-10-6-9-18(26)13-24/h3-5,7-8,18,26H,6,9-10,12-14H2,1-2H3,(H,23,27)/t18-/m0/s1