(5S)-5-ethynyl-1-[2-[[1-(4-methoxyphenyl)carbonyl-4-methyl-piperidin-4-yl]amino]ethanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: (5S)-5-ethynyl-1-[2-[[1-(4-methoxyphenyl)carbonyl-4-methyl-piperidin-4-yl]amino]ethanoyl]pyrrolidine-2-carbonitrile Openeye Name: (5S)-5-ethynyl-1-[2-[[1-(4-methoxybenzoyl)-4-methyl-4-piperidyl]amino]acetyl]pyrrolidine-2-carbonitrile CAS Name: (5S)-5-ethynyl-1-[2-[[1-[(4-methoxyphenyl)-oxomethyl]-4-methyl-4-piperidinyl]amino]-1-oxoethyl]-2-pyrrolidinecarbonitrile IUPAC Name: (5S)-5-ethynyl-1-[2-[[1-(4-methoxybenzoyl)-4-methylpiperidin-4-yl]amino]acetyl]pyrrolidine-2-carbonitrile Traditional Name: (5S)-5-ethynyl-1-[2-[(4-methyl-1-p-anisoyl-4-piperidyl)amino]acetyl]pyrrolidine-2-carbonitrile Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(CC1)C(=O)C2=CC=C(C=C2)OC)NCC(=O)N3C(CCC3C#N)C#C

Isomeric SMILES

CC1(CCN(CC1)C(=O)C2=CC=C(C=C2)OC)NCC(=O)N3[C@@H](CCC3C#N)C#C

InChI

InChI=1S/C23H28N4O3/c1-4-18-7-8-19(15-24)27(18)21(28)16-25-23(2)11-13-26(14-12-23)22(29)17-5-9-20(30-3)10-6-17/h1,5-6,9-10,18-19,25H,7-8,11-14,16H2,2-3H3/t18-,19?/m1/s1