(phenylmethyl) (2S)-1-[6-(3-methylpiperazin-1-yl)pyridin-3-yl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-[6-(3-methylpiperazin-1-yl)pyridin-3-yl]carbonylpyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-[6-(3-methylpiperazin-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[6-(3-methyl-1-piperazinyl)-3-pyridinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-[6-(3-methylpiperazin-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[6-(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=NC=C(C=C2)C(=O)N3CCCC3C(=O)OCC4=CC=CC=C4

Isomeric SMILES

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

InChI

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