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

Systemtic Name: (phenylmethyl) (2S)-1-[6-(3-phenylpiperazin-1-yl)pyridin-3-yl]carbonylpyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-[6-(3-phenylpiperazin-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[oxo-[6-(3-phenyl-1-piperazinyl)-3-pyridinyl]methyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-[6-(3-phenylpiperazin-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[6-(3-phenylpiperazino)nicotinoyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C28H30N4O3 MolecularWeight: 470.5628

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CN=C(C=C2)N3CCNC(C3)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CN=C(C=C2)N3CCNC(C3)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C28H30N4O3/c33-27(32-16-7-12-25(32)28(34)35-20-21-8-3-1-4-9-21)23-13-14-26(30-18-23)31-17-15-29-24(19-31)22-10-5-2-6-11-22/h1-6,8-11,13-14,18,24-25,29H,7,12,15-17,19-20H2/t24?,25-/m0/s1