(phenylmethyl) (2S)-1-[2-(3-methylpiperazin-1-yl)pyridin-3-yl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-[2-(3-methylpiperazin-1-yl)pyridin-3-yl]carbonylpyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-[2-(3-methylpiperazin-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[2-(3-methyl-1-piperazinyl)-3-pyridinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-[2-(3-methylpiperazin-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[2-(3-methylpiperazino)nicotinoyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=C(C=CC=N2)C(=O)N3CCCC3C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1CN(CCN1)C2=C(C=CC=N2)C(=O)N3CCC[C@H]3C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H28N4O3/c1-17-15-26(14-12-24-17)21-19(9-5-11-25-21)22(28)27-13-6-10-20(27)23(29)30-16-18-7-3-2-4-8-18/h2-5,7-9,11,17,20,24H,6,10,12-16H2,1H3/t17?,20-/m0/s1